SCHEMBL5994908

SCHEMBL5994908

Cc1ccccc1-c1ccc[c]c1NC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 3/20 0.36
MYC P01106 1/20 0.36
IKBKB O14920 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SLC9A1 P19634 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR3C2 P08235 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL9437090 0.85 POLB (0.42) POLBNPC1RAB9AHPGDIKBKB
SCHEMBL19065135 0.81 BCAT2 (0.44) RAB9AHPGDIKBKBALDH1A1MAPT
SCHEMBL10587901 0.71 KIF11 (0.38) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL5487334 0.71 CYP1A2 (0.42) POLBNPC1HPGDIKBKBALDH1A1
SCHEMBL5479979 0.71 ALDH1A1 (0.41) NPC1RAB9AIKBKBALDH1A1MAPT
SCHEMBL10766968 0.69 ALDH1A1 (0.50) POLBNPC1RAB9AHPGDALDH1A1
SCHEMBL6611507 0.69 ALDH1A1 (0.34) POLBALDH1A1MAPTMAPK1HSD17B10
SCHEMBL11673948 0.69 SMN1; SMN2 (0.36) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL81434 0.68 POLB (0.75) POLBNPC1RAB9AHPGDALDH1A1
SCHEMBL100932 0.68 TSHR (0.39) NPC1RAB9AHPGDALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0917462-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2006-09-13 EP disclosed
US-20060030553-A1 Cell adhesion inhibitors ZHENG ZHONGLI 2006-02-09 US disclosed
US-6949534-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2005-09-27 US disclosed
US-20040053907-A1 Cell adhesion inhibitors BIOGEN, INC. A MASSACHUSETTS CORPORATION. 2004-03-18 US disclosed
US-6686350-B1 Cell adhesion inhibitors BIOGEN, INC. 2004-02-03 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 (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-20040053907-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM POLB 4750/4885NPC1 2649/4885RAB9A 1779/4885
US-20060030553-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM POLB 4750/4885NPC1 2649/4885RAB9A 1779/4885

“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.