SCHEMBL3109463

SCHEMBL3109463

NC(=O)c1ccccc1-c1nc2c(s1)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
ALDH1A1 P00352 6/20 0.50
NPC1 O15118 5/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 3/20 0.47
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 2/20 0.43
BCAT2 O15382 1/20 0.41
MITF O75030 1/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41

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
SCHEMBL30839557 0.80 NPC1 (0.48) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL30839548 0.77 ROCK2 (0.38) LMNAMAPTTP53
SCHEMBL6223472 0.75 ALDH1A1 (0.49) LMNARAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL30839565 0.74 SCN3A (0.41) LMNARAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL5027039 0.71 MAPT (0.63) LMNARAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL1968083 0.69 ADRA2A (0.51) LMNARAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4934549 0.69 BCAT2 (0.55) RAB9AALDH1A1NPC1MAPTGAA
SCHEMBL29603394 0.68 BCAT2 (0.46) LMNARAB9AALDH1A1NPC1MAPT
SCHEMBL20329029 0.68 PDCD1 (0.47) LMNARAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL3180259 0.67 HTR2B (0.50) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT

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
WO-2015057992-A1 BTK INHIBITORS FOR HEMATOPOIETIC MOBILIZATION IZUMI RAQUEL (US) 2015-04-23 WO disclosed
US-8362249-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 LMNA 3677/4885RAB9A 1421/4885SMN1; SMN2 4561/4885

“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.