SCHEMBL2422833

SCHEMBL2422833

CC(O)c1ccc(C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 9/20 0.53
▸ NOS1 P29475 2/20 0.48
▸ NOS3 P29474 1/20 0.48
▸ PARP4 Q9UKK3 2/20 0.48
▸ PARP1 P09874 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA1 P00915 1/20 0.48
▸ PARP2 Q9UGN5 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ PARP15 Q460N3 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PARP14 Q460N5 1/20 0.46
▸ PARP16 Q8N5Y8 1/20 0.46
▸ PARP11 Q9NR21 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL12600654 1.00 PARP10 (0.53) PARP10NOS1NOS3PARP4PARP1
SCHEMBL84429 0.84 HTT (0.61) PARP10NOS1PARP4PARP1CA2
SCHEMBL12052082 0.82 PARP10 (0.53) PARP10NOS1PARP4PARP1CA2
Water SCHEMBL4672025 0.82 HTT (0.59) PARP10NOS1PARP4PARP1CA2
SCHEMBL19512183 0.82 HTT (0.59) PARP10NOS1PARP4PARP1CA2
Hydrochloric Acid SCHEMBL4372836 0.82 HTT (0.59) PARP10NOS1PARP4PARP1CA2
SCHEMBL3783150 0.82 PARP10 (0.53) PARP10NOS1PARP4PARP1CA2
Hydrochloric Acid SCHEMBL4670024 0.82 HTT (0.59) PARP10NOS1PARP4PARP1CA2
SCHEMBL8254658 0.82 PARP10 (0.53) PARP10NOS1PARP4PARP1CA2
SCHEMBL28847652 0.81 ALDH1A1 (0.50) NOS1NOS3ALDH1A1HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252157-B1 PYRIMIDINE CARBOXAMIDES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2004-06-23 — — EP claimed
CN-108912011-A Light arrangement material 罗立克科技股份公司 2018-11-30 — — CN disclosed
CN-103889944-A Photoalignment material ROLIC AG 2014-06-25 — — CN disclosed
EP-2265616-B1 FURO-AND THIENO[3,2-C]PYRIDINES OSI PHARM INC (US) 2013-11-20 — — EP disclosed
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 — — US disclosed
US-8022206-B2 Furo[3,2-C]pyridines OSI Pharmaceuticals, LLC (US) 2011-09-20 — — US disclosed
US-8022206-B2 Furo[3,2-C]pyridines OSI Pharmaceuticals, LLC (US) 2011-09-20 — — US disclosed
US-8022206-B2 Furo[3,2-C]pyridines OSI Pharmaceuticals, LLC (US) 2011-09-20 — — US disclosed
CN-102007127-A Furo- and thieno [3,2-c] pyridines OSI PHARM INC 2011-04-06 — — CN disclosed
EP-2265616-A1 FURO-AND THIENO[3,2-C]PYRIDINES OSI Pharmaceuticals, Inc. (US) 2010-12-29 — — EP disclosed
US-20090197864-A1 Furo- and Thieno [3,2-c] Pyridines OSI PHARMACEUTICALS, INC. 2009-08-06 — — US disclosed
US-20090197864-A1 Furo- and Thieno [3,2-c] Pyridines OSI PHARMACEUTICALS, INC. 2009-08-06 — — US disclosed
US-20090197864-A1 Furo- and Thieno [3,2-c] Pyridines OSI PHARMACEUTICALS, INC. 2009-08-06 — — US disclosed
CN-101242845-A Synergistic modulation of FLT3 kinase using a farnesyl transferase inhibitor JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 — — CN disclosed
EP-1893598-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 — — EP disclosed
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 — — US disclosed
WO-2006135721-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 — — WO disclosed
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 — — US disclosed
US-20050222158-A1 Method of treating migraine headaches using calcitonin gene related peptide mimetics BRISTOL-MYERS SQUIBB COMPANY 2005-10-06 — — US disclosed
US-20050209256-A1 Novel beta-turn mimetics as calcitonin gene related peptide receptor antagonists MYRIAD GENETICS, INC. 2005-09-22 — — 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 (5 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-20050222158-A1 Method of treating migraine headaches using calcitonin gene related peptide mimetics CALCRL, CALCB, CALCA PARP10 2869/4885NOS1 1277/4885NOS3 728/4885
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS FLT3, KIT, NTRK2 PARP10 427/4885NOS1 2311/4885NOS3 1741/4885
US-20090197864-A1 Furo- and Thieno [3,2-c] Pyridines RET, MET, ERBB2 PARP10 1118/4885NOS1 1164/4885NOS3 976/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG PARP10 366/4885NOS1 2575/4885NOS3 2225/4885
US-20050209256-A1 Novel beta-turn mimetics as calcitonin gene related peptide receptor antagonists CALCRL, CALCB, CALCA PARP10 2619/4885NOS1 2463/4885NOS3 1844/4885

“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.

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