SCHEMBL6037548

SCHEMBL6037548

[CH2]c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.78
RAB9A P51151 2/20 0.78
LMNA P02545 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
EGFR P00533 8/20 0.71
PIK3CA P42336 8/20 0.71
KDM1A O60341 1/20 0.62
RCOR1 Q9UKL0 1/20 0.62
IDO1 P14902 1/20 0.61
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
MAPK1 P28482 1/20 0.59
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
FLT3 P36888 1/20 0.54
PIN1 Q13526 1/20 0.54
MAPT P10636 1/20 0.53
DAO P14920 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL8769590 0.88 NPC1 (0.82) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL7208136 0.88 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL29475123 0.88 NPC1 (1.00) NPC1RAB9ALMNASMN1; SMN2EGFR
Hydrochloric Acid SCHEMBL16465542 0.86 NPC1 (0.97) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL7590295 0.85 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL17433428 0.85 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL27335879 0.85 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL19476163 0.85 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL16627058 0.85 NPC1 (0.78) NPC1RAB9ALMNASMN1; SMN2EGFR
SCHEMBL5818325 0.84 NPC1 (0.75) NPC1RAB9ALMNASMN1; SMN2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP 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 (2 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM NPC1 2649/4885RAB9A 1779/4885LMNA 2271/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM NPC1 2649/4885RAB9A 1779/4885LMNA 2271/4885

“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.