SCHEMBL231018

SCHEMBL231018

Nc1ncc(Cc2ccccc2Cl)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
CFTR P13569 1/20 0.49
EPHX2 P34913 1/20 0.49
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ABL1 P00519 1/20 0.48
OPRK1 P41145 1/20 0.48
CCR6 P51684 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
RECQL P46063 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 3/20 0.45

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
SCHEMBL2201618 1.00 POLB (0.52) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL3134408 0.87 KMT2A (0.56) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL3134533 0.81 ALDH1A1 (0.57) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL12510281 0.81 EPHX2 (0.50) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL16406391 0.81 EPHX2 (0.50) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL963467 0.80 EPHX2 (0.49) POLBALDH1A1KDM4EEPHX2MAPT
SCHEMBL16061555 0.80 POLB (0.54) POLBALDH1A1EPHX2MAPTTDP1
SCHEMBL14076490 0.80 POLB (0.56) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL5742525 0.78 POLB (0.57) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL15522214 0.78 EPHX2 (0.44) POLBALDH1A1EPHX2MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
EP-3768269-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-01-27 EP disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO disclosed
CN-1938279-A Modulators of atp-binding cassette transporters VERTEX PHARMA (US) 2007-03-28 CN disclosed
CN-1898221-A Modulators of atp-binding cassette transporters VERTEX PHARMA (US) 2007-01-17 CN disclosed
EP-1716122-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-11-02 EP disclosed
EP-1664006-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-06-07 EP disclosed
US-20060052358-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-03-09 US disclosed
WO-2005075435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-08-18 WO disclosed
US-20050176789-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-08-11 US disclosed
WO-2005026137-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-24 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 (6 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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 POLB 3273/4885MEN1 191/4885KMT2A 587/4885
US-20050176789-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCF1 POLB 1440/4885MEN1 4595/4885KMT2A 4444/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 POLB 3788/4885MEN1 1807/4885KMT2A 2479/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 POLB 3788/4885MEN1 1807/4885KMT2A 2479/4885
US-20060052358-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders CFTR, ABCC2, ABCC4 POLB 2903/4885MEN1 4880/4885KMT2A 3404/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 POLB 1018/4885MEN1 3838/4885KMT2A 2419/4885

“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.