SCHEMBL4120436

SCHEMBL4120436

CCc1c(F)ccc(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
GAA P10253 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
CD38 P28907 1/20 0.33
PKM P14618 1/20 0.33
CYP2A13 Q16696 1/20 0.33
P2RX7 Q99572 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
MET P08581 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL91338 0.86 P2RX7 (0.37) TAAR1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL10290476 0.82 MPO (0.40) TAAR1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL2845042 0.82 TAAR1 (0.36) TAAR1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL5413856 0.80 CYP3A4 (0.36) TAAR1MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL20326196 0.80 CYP3A4 (0.39) GAAMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL9608978 0.80 P2RX7 (0.41) TAAR1MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL19116110 0.78 GAA (0.36) TAAR1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL31152890 0.78 CYP1A2 (0.33) TAAR1KDM4E
SCHEMBL23378582 0.77 TAAR1 (0.36) TAAR1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL6072587 0.77 TAAR1 (0.41) TAAR1GAAMEN1KMT2ASMN1; SMN2

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
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 US disclosed
US-9914712-B2 Antibacterial thiazolecarboxylic acids ANTABIO SAS (FR) 2018-03-13 US disclosed
EP-2884977-B1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2017-10-11 EP disclosed
US-9556168-B2 N-alkylated indole and indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-01-31 US disclosed
US-20160272601-A1 Antibacterial Thiazolecarboxylic Acids ANTABIO SAS (FR) 2016-09-22 US disclosed
US-20150210687-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
US-20090253929-A1 Chemical Compounds ASTRAZENECA AB (SE) 2009-10-08 US disclosed
US-20080262037-A1 Piperidine Derivatives for the Treatment of Chemokine Mediated Disease ASTRAZENECA AB (SE) 2008-10-23 US disclosed
EP-1824806-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2007-08-29 EP disclosed
WO-2006062476-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-15 WO 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-20150210687-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA TAAR1 804/4885GAA 1361/4885MEN1 2764/4885
US-20160272601-A1 Antibacterial Thiazolecarboxylic Acids ME1, TALDO1, COASY TAAR1 2080/4885GAA 26/4885MEN1 1657/4885
US-20090253929-A1 Chemical Compounds CYP4B1, CYP3A4, CYP1A1 TAAR1 912/4885GAA 1845/4885MEN1 104/4885
US-20080262037-A1 Piperidine Derivatives for the Treatment of Chemokine Mediated Disease CCR3, CCR1, CCR4 TAAR1 655/4885GAA 3863/4885MEN1 1440/4885

“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.