SCHEMBL4236274

SCHEMBL4236274

Cc1ccc2c(c1)c(C(=O)O)cn2-c1ccnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.48
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDR P35968 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
IL1B P01584 1/20 0.38
MAPT P10636 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 1/20 0.37
NR1I2 O75469 1/20 0.37
AHR P35869 1/20 0.37
KCNH2 Q12809 1/20 0.37
RORC P51449 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
SCHEMBL4244244 0.90 PTGDR2 (0.45) PTGDR2MEN1KMT2AKDRHTR2C
Hydrochloric Acid SCHEMBL4235822 0.89 PTGDR2 (0.44) PTGDR2MEN1KMT2AKDRHTR2C
SCHEMBL4236288 0.88 NR4A2 (0.47) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4244849 0.86 RORC (0.43) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4240886 0.86 KDM4E (0.43) PTGDR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4239906 0.86 KCNH2 (0.41) KDM4EALDH1A1KMT2AMAPTKDM4C
SCHEMBL8349128 0.85 SLC9A1 (0.49) PTGDR2MEN1KMT2AKDRHTR2C
SCHEMBL4241847 0.83 PTGDR2 (0.41) PTGDR2KMT2AKDRHTR2CHTR2B
Hydrochloric Acid SCHEMBL4241861 0.82 PTGDR2 (0.40) PTGDR2KMT2AKDRHTR2CHTR2B
SCHEMBL4242991 0.81 LMNA (0.53) PTGDR2KDM4EALDH1A1MEN1KMT2A

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 PTGDR2 1004/4885KDM4E 1286/4885ALDH1A1 963/4885

“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.