SCHEMBL1945009

SCHEMBL1945009

O=C(O)N(c1ccccc1)c1nnc(-c2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 6/20 0.44
HSD17B10 Q99714 6/20 0.43
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3585979 0.80 NPSR1 (0.44) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5381977 0.79 ALDH1A1 (0.48) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL4762222 0.75 CYP3A4 (0.47) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1943555 0.75 NPC1 (0.40) NPC1RAB9AALDH1A1L3MBTL1KDM4E
SCHEMBL5373150 0.75 GLS (0.45) NPC1RAB9AALDH1A1L3MBTL1KDM4E
SCHEMBL25523259 0.73 ALDH1A1 (0.54) NPC1RAB9AALDH1A1L3MBTL1KDM4E
SCHEMBL2380294 0.73 NPC1 (0.47) NPC1RAB9AALDH1A1L3MBTL1KDM4E
SCHEMBL2427334 0.73 RAB9A (0.60) NPC1RAB9AALDH1A1L3MBTL1KDM4E
SCHEMBL1943940 0.70 KMT2A (0.57) NPC1RAB9AALDH1A1L3MBTL1KDM4E
SCHEMBL19778 0.70 NPSR1 (0.70) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 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-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 NPC1 1260/4885RAB9A 3914/4885ALDH1A1 3238/4885
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS CCR2, CCR3, CXCR2 NPC1 1658/4885RAB9A 4068/4885ALDH1A1 3388/4885

“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.