SCHEMBL5728846

SCHEMBL5728846

Cc1cc(Cl)cc(CO)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.38
KMT2A Q03164 4/20 0.36
MAPK1 P28482 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR2 O95136 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
S1PR4 O95977 1/20 0.33
CRHR1 P34998 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CCR1 P32246 1/20 0.32

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
SCHEMBL31574144 1.00 NOTUM (0.38) NOTUMKMT2AMAPK1MEN1ALDH1A1
SCHEMBL4596056 0.84 NOTUM (0.44) NOTUMALDH1A1MAPTS1PR4KDM4E
SCHEMBL18506606 0.80 SMN1; SMN2 (0.42) KMT2AMAPK1MEN1ALDH1A1SMN1; SMN2
SCHEMBL6653833 0.80 NOS3 (0.42) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL29383530 0.78 HTT (0.35) KMT2AMAPK1MEN1ALDH1A1GAA
SCHEMBL1425084 0.78 HTT (0.35) KMT2AMAPK1MEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL9053873 0.78 SMN1; SMN2 (0.41) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL11703961 0.78 MAPT (0.33) KMT2AMAPK1MEN1ALDH1A1GAA
SCHEMBL17506403 0.78 ADORA2A (0.44) KMT2AMAPK1MEN1ALDH1A1SMN1; SMN2
SCHEMBL3713130 0.78 NOTUM (0.38) NOTUMKMT2AMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024131938-A1 QUINAZOLINE COMPOUND AND USE THEREOF 赛诺哈勃药业(成都)有限公司 2024-06-27 WO disclosed
US-9708297-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-07-18 US disclosed
US-9637495-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-05-02 US disclosed
US-20170044138-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 US disclosed
US-20170044163-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 US disclosed
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 US disclosed
EP-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
CN-1172916-C Oxime O-ether compounds and agricultural and horticultural fungicides �ձ�������ʽ���� 2004-10-27 CN disclosed
CN-1511140-A Oxime ether compound and agricultural or horticultural bactericide �ձ�������ʽ���� 2004-07-07 CN disclosed
US-20040116480-A1 Oxime ether compound and agricultural or horticultural bactericide NIPPON SODA CO., LTD. (JP) 2004-06-17 US disclosed
US-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1236717-B1 OXIME O-ETHER COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO (JP) 2004-02-04 EP disclosed
EP-1362850-A1 OXIME ETHER COMPOUND AND AGRICULTURAL OR HORTICULTURAL BACTERICIDE NIPPON SODA CO., LTD. (JP) 2003-11-19 EP disclosed
US-6589967-B1 Fungicide for agricultural and horticultural use comprising the compound as the active ingredient. agricultural plant protection chemicals have been used for controlling plant diseases. NIPPON SODA CO. LTD. (JP) 2003-07-08 US disclosed
CN-1387515-A Oxime O-ether compounds and fungicides for agricultural and horticultural use NIPPON SODA CO (JP) 2002-12-25 CN disclosed
EP-1236717-A1 OXIME O-ETHER COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD. (JP) 2002-09-04 EP disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 EP disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 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 (3 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-20170044163-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CCKBR NOTUM 2468/4885KMT2A 3881/4885MAPK1 1956/4885
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB NOTUM 910/4885KMT2A 1918/4885MAPK1 4095/4885
US-20170044138-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CCKBR NOTUM 2468/4885KMT2A 3881/4885MAPK1 1956/4885

“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.