SCHEMBL4242161

SCHEMBL4242161

Cc1ccc2c(c1)c(C(=O)O)cn2-c1nccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
KDR P35968 1/20 0.39
COMT P21964 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MYC P01106 1/20 0.39
MAPT P10636 1/20 0.38
CNR2 P34972 2/20 0.38
PHGDH O43175 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
RORC P51449 1/20 0.37
FABP4 P15090 1/20 0.37

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
Hydrochloric Acid SCHEMBL4239574 0.89 KMT2A (0.41) KMT2ANPC1POLBRAB9AHCAR2
SCHEMBL4236258 0.88 NR4A2 (0.47) KMT2ANPC1POLBRAB9AKDM4E
SCHEMBL4240294 0.86 HCAR2 (0.47) RAB9AHCAR2KDM4ECOMTMYC
SCHEMBL8346321 0.85 SLC9A1 (0.40) KMT2ANPC1POLBRAB9AKDR
SCHEMBL4241729 0.84 NPC1 (0.43) KMT2ANPC1POLBRAB9AHCAR2
Hydrochloric Acid SCHEMBL4238888 0.83 NPC1 (0.42) KMT2ANPC1POLBRAB9AHCAR2
SCHEMBL4236274 0.79 PTGDR2 (0.48) KMT2AKDM4EALDH1A1HSD17B10MEN1
SCHEMBL4065134 0.77 HCAR2 (0.48) HCAR2KDM4EALDH1A1COMTMYC
SCHEMBL4236338 0.75 ALDH1A1 (0.44) KMT2ANPC1RAB9AHCAR2KDM4E
SCHEMBL4240880 0.75 NR4A2 (0.60) KMT2APOLBKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531663-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
US-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-03 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 (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-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them IDO1, IDO2, HTR3C KMT2A 3073/4885NPC1 235/4885POLB 3244/4885

“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.