SCHEMBL8440705

SCHEMBL8440705

COc1cc(C#N)cc(Br)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
TTR P02766 2/20 0.64
ALB P02768 2/20 0.64
ALOX5 P09917 1/20 0.58
PTGS2 P35354 1/20 0.58
EGFR P00533 4/20 0.55
ALOX15 P16050 2/20 0.46
ALOX12 P18054 1/20 0.46
KDM4E B2RXH2 4/20 0.44
GAA P10253 3/20 0.44
PTP4A3 O75365 2/20 0.44
PTP4A2 Q12974 2/20 0.44
PTP4A1 Q93096 2/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ERN1 O75460 1/20 0.41
HPGD P15428 2/20 0.40

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
SCHEMBL443285 0.86 TTR (0.52) MEN1KMT2ATTRALBALOX5
SCHEMBL12846356 0.82 EGFR (0.51) MEN1KMT2ATTRALBALOX5
SCHEMBL17655654 0.81 TTR (0.47) MEN1KMT2ATTRALBALOX5
Bromoxynil SCHEMBL1701902 0.80 TTR (1.00) MEN1KMT2ATTRALBEGFR
Bromoxynil SCHEMBL19210 0.80 TTR (1.00) MEN1KMT2ATTRALBEGFR
SCHEMBL1175107 0.79 EGFR (0.54) MEN1KMT2ATTRALBALOX5
SCHEMBL9244309 0.79 TTR (0.45) MEN1KMT2ATTRALBALOX5
SCHEMBL523635 0.79 TSHR (0.46) MEN1KMT2ATTRALBALOX15
SCHEMBL1614422 0.78 AR (0.43) MEN1KMT2ATTRALBEGFR
SCHEMBL1175171 0.78 CYP19A1 (0.47) MEN1KMT2ATTRALBEGFR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344604-B1 CARBOXY SUBSTITUTED (HETERO) AROMATIC RING DERIVATIVES AND PREPARATION METHOD AND USES THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-11-04 EP disclosed
CN-106478500-B Carboxylic acid substituted (hetero) aromatic ring derivatives, and preparation method and application thereof 广东东阳光药业有限公司 2020-02-11 CN disclosed
US-10266496-B2 Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-04-23 US disclosed
EP-3344604-A1 CARBOXY SUBSTITUTED (HETERO) AROMATIC RING DERIVATIVES AND PREPARATION METHOD AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-07-11 EP disclosed
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 US disclosed
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides BASF SE (DE) 2017-06-29 US disclosed
WO-2017036404-A1 CARBOXY SUBSTITUTED (HETERO) AROMATIC RING DERIVATIVES AND PREPARATION METHOD AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-09 WO disclosed
US-20170036969-A1 NITRIFICATION INHIBITORS BASF SE (DE) 2017-02-09 US disclosed
CN-1060159-C Preparation for aromatic nitrile compound CIBA GEIGY (CH) 2001-01-03 CN disclosed
EP-0731086-B1 Process for the preparation of aromatic nitriles CIBA GEIGY AG (CH) 1999-04-28 EP disclosed
US-5618965-A Process for preparing aromatic nitriles CIBA-GEIGY CORPORATION (US) 1997-04-08 US disclosed
EP-0731086-A1 Process for the preparation of aromatic nitriles CIBA-GEIGY AG (CH) 1996-09-11 EP 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 (4 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-20170036969-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NOS3 MEN1 4434/4885KMT2A 1097/4885TTR 4155/4885
US-20170181435-A1 Combination of Novel Nitrification Inhibitors and Biopesticides as Well as Combination of (Thio)Phosphoric Acid Triamides and Biopesticides PRXL2A, NIT2, NAT1 MEN1 4441/4885KMT2A 3605/4885TTR 626/4885
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NAT1, PRXL2A, DDAH1 MEN1 4652/4885KMT2A 2199/4885TTR 935/4885
US-10266496-B2 Carboxy substituted (hetero) aromatic ring derivatives and preparation method and uses thereof XDH, ABCG2, SLC7A1 MEN1 4506/4885KMT2A 3821/4885TTR 937/4885

“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.