SCHEMBL3203787

SCHEMBL3203787

O=C(O)COc1ccc(Br)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.70
TSHR P16473 4/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
PTGDR2 Q9Y5Y4 6/20 0.64
RECQL P46063 1/20 0.62
CYP2C19 P33261 1/20 0.60
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 3/20 0.59
POLB P06746 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TP53 P04637 1/20 0.59
PPARD Q03181 1/20 0.59
LMNA P02545 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9722693 0.86 KMT2A (0.64) TDP1TSHRKMT2AMEN1RECQL
SCHEMBL8574685 0.86 PTGDR2 (0.59) TDP1TSHRKMT2AMEN1PTGDR2
SCHEMBL15868883 0.85 KMT2A (0.67) TDP1TSHRKMT2AMEN1PTGDR2
SCHEMBL16585160 0.84 TSHR (0.61) TDP1TSHRKMT2AMEN1PTGDR2
SCHEMBL10746769 0.83 KDM4E (0.60) TDP1TSHRKMT2AMEN1RECQL
SCHEMBL29457684 0.83 KDM4E (0.60) TDP1TSHRKMT2AMEN1RECQL
SCHEMBL1324243 0.83 TDP1 (0.70) TDP1TSHRPTGDR2CYP2C19PPARD
2,4-Dichlorophenoxyacetic Acid SCHEMBL27783 0.82 TDP1 (1.00) TDP1TSHRPTGDR2RECQLCYP2C19
2,4-Dichlorophenoxyacetic Acid SCHEMBL226803 0.82 TDP1 (1.00) TDP1TSHRPTGDR2RECQLCYP2C19
2,4-Dichlorophenoxyacetic Acid SCHEMBL31108925 0.82 TDP1 (1.00) TDP1TSHRPTGDR2RECQLCYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165815-A1 ROLES OF MODULATORS OF INTERSECTIN-CDC42 SIGNALING IN ALZHEIMER?S DISEASE Lu, Qun (US) 2023-06-01 US disclosed
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20170334863-A1 Cdc42 INHIBITOR AND USES THEREOF LU QUN (CN) 2017-11-23 US disclosed
US-20170334863-A1 Cdc42 INHIBITOR AND USES THEREOF LU QUN (CN) 2017-11-23 US disclosed
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 US disclosed
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US disclosed
US-7423185-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-09 US disclosed
EP-1593666-B1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-07-02 EP disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP disclosed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 EP disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US disclosed
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 TDP1 2456/4885TSHR 944/4885KMT2A 3719/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 TDP1 2456/4885TSHR 944/4885KMT2A 3719/4885
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R TDP1 4478/4885TSHR 88/4885KMT2A 571/4885
US-20230165815-A1 ROLES OF MODULATORS OF INTERSECTIN-CDC42 SIGNALING IN ALZHEIMER?S DISEASE CDC42, MDN1, GAP43 TDP1 1980/4885TSHR 3939/4885KMT2A 4297/4885
US-20170334863-A1 Cdc42 INHIBITOR AND USES THEREOF CDC42, ARHGDIA, ARHGDIB TDP1 3046/4885TSHR 4362/4885KMT2A 4735/4885
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT HIF1AN, HIF1A, VHL TDP1 4729/4885TSHR 1712/4885KMT2A 1390/4885
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A TDP1 4391/4885TSHR 113/4885KMT2A 1978/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A TDP1 4391/4885TSHR 113/4885KMT2A 1978/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 TDP1 2523/4885TSHR 933/4885KMT2A 3753/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.