SCHEMBL3938152

SCHEMBL3938152

[c]1c(-c2ccccc2)nnn1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.36
P2RX7 Q99572 1/20 0.35
MAPK1 P28482 2/20 0.34
AVPR1A P37288 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 2/20 0.32
PTGS2 P35354 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOTUM Q6P988 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL7682588 0.73 KMT2A (0.36) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL794810 0.73 MEN1 (0.38) NPC1RAB9ASMN1; SMN2P2RX7MAPK1
SCHEMBL795459 0.69 ALDH1A1 (0.37) SMN1; SMN2MAPK1L3MBTL1ALDH1A1KMT2A
SCHEMBL10672929 0.63 CCNA2 (0.38) NPC1RAB9ASMN1; SMN2ABCG2ALDH1A1
SCHEMBL324455 0.60 NOTUM (0.39) P2RX7KDM4ENOTUM
SCHEMBL13694017 0.58 HPGD (0.52) NPC1RAB9ASMN1; SMN2ABCG2P2RX7
SCHEMBL18327898 0.58 AVPR1A (0.70) SMN1; SMN2MAPK1AVPR1AALDH1A1KMT2A
SCHEMBL10773382 0.57
SCHEMBL1047772 0.55
SCHEMBL3652642 0.54 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1

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
US-7538215-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
EP-1144384-B1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2007-10-31 EP disclosed
US-20050261293-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH 2005-11-24 US disclosed
US-6903088-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2005-06-07 US disclosed
US-6479492-B1 TREATMENT OF INFLAMMATORY DISEASES IN A MAMMALIAN PATIENT ELAN PHARMACEUTICALS, INC. 2002-11-12 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 (1 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-20050261293-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 NPC1 3250/4885RAB9A 2770/4885SMN1; SMN2 1933/4885

“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.