SCHEMBL1961876

SCHEMBL1961876

Cc1ccc(NC(=O)c2ccccc2N)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.68
RAB9A P51151 6/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
HSD17B10 Q99714 3/20 0.68
TP53 P04637 2/20 0.68
LMNA P02545 1/20 0.68
NFKB1 P19838 1/20 0.68
HTT P42858 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
PTGS1 P23219 1/20 0.65
KDM4E B2RXH2 3/20 0.60
HPGD P15428 3/20 0.60
ALDH1A1 P00352 2/20 0.60
FADS1 O60427 3/20 0.59
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
PNLIP P16233 1/20 0.57
MEN1 O00255 3/20 0.56
POLB P06746 3/20 0.56

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
SCHEMBL17744848 0.91 PTGS1 (0.75) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL4954215 0.88 PTGS1 (0.67) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL7058035 0.87 RAB9A (0.79) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL15361168 0.86 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2HSD17B10LMNA
SCHEMBL1961258 0.86 FADS1 (0.69) NPC1RAB9ASMN1; SMN2HSD17B10PTGS1
SCHEMBL2127535 0.86 PTGS1 (0.69) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL30830441 0.86 PTGS1 (0.69) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL1140055 0.85 PTGS1 (0.68) NPC1RAB9AHSD17B10TP53LMNA
SCHEMBL4957349 0.84 LMNA (0.69) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL31424193 0.83 MEN1 (0.72) NPC1RAB9ASMN1; SMN2HSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661459-A 1,2, 3-Benzotriazine-4 (3H) -one seleno compound and preparation method and application thereof 赣南师范大学 2025-03-21 CN claimed
CN-118184588-A N-aryl/alkyl quinazolinone compound and synthesis method thereof 陕西科技大学 2024-06-14 CN claimed
CN-104744379-B A kind of quianzolinones and its synthetic method 三峡大学 2017-10-27 CN claimed
CN-104829543-B A kind of 2 (4 oxoalkyl group) quianzolinones and its synthetic method 三峡大学 2017-08-25 CN claimed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
CN-119661459-A 1,2, 3-Benzotriazine-4 (3H) -one seleno compound and preparation method and application thereof 赣南师范大学 2025-03-21 CN disclosed
CN-118652285-A Preparation method of trisubstituted ferrocene derivative 华侨大学 2024-09-17 CN disclosed
US-12065421-B2 Inhibitors of oplophorus luciferase-derived bioluminescent complexes PROMEGA CORPORATION (US) 2024-08-20 US disclosed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM NPC1 2649/4885RAB9A 1779/4885SMN1; SMN2 3410/4885
US-12065421-B2 Inhibitors of oplophorus luciferase-derived bioluminescent complexes LUC7L2, LYPLAL1, GUSB NPC1 451/4885RAB9A 1687/4885SMN1; SMN2 2491/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM NPC1 2649/4885RAB9A 1779/4885SMN1; SMN2 3410/4885

“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.