SCHEMBL2881471

SCHEMBL2881471

CCOC(=O)c1nc(NC(=O)Nc2ccc(C)c(F)c2)cn1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
DHODH Q02127 4/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.45
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.44
CASP3 P42574 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
FPR2 P25090 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RPS6KA3 P51812 1/20 0.43

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
SCHEMBL2569996 0.85 MAPT (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2562045 0.85 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL1594653 0.82 EPHX2 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2569997 0.81 MAPT (0.48) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4110966 0.77 MAPT (0.72) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL2568635 0.75 NAMPT (0.55) RAB9ASMN1; SMN2TSHRLMNA
SCHEMBL13695917 0.74 MAPT (0.68) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL4118553 0.73 NPC1 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2569818 0.73 MEN1 (0.40) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23745118 0.72 RPS6KA3 (0.43) NPC1RAB9ASMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732901-B1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND AICURIS GMBH & CO KG (DE) 2011-11-02 EP disclosed
US-7767704-B2 Antiviral 4-aminocarbonylamino-substituted imidazole compounds AICURIS GMBH & CO. KG (DE) 2010-08-03 US disclosed
US-7767704-B2 Antiviral 4-aminocarbonylamino-substituted imidazole compounds AICURIS GMBH & CO. KG (DE) 2010-08-03 US disclosed
US-7767704-B2 Antiviral 4-aminocarbonylamino-substituted imidazole compounds AICURIS GMBH & CO. KG (DE) 2010-08-03 US disclosed
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds BAYER HEALTHCARE AG (DE) 2008-01-03 US disclosed
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds BAYER HEALTHCARE AG (DE) 2008-01-03 US disclosed
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds BAYER HEALTHCARE AG (DE) 2008-01-03 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 (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-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds IRF3, EIF2AK2, ZC3HAV1 NPC1 768/4885RAB9A 1907/4885SMN1; SMN2 2449/4885

“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.