SCHEMBL18782891

SCHEMBL18782891

Oc1ccc2[nH]c(I)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 3/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
RAD51 Q06609 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
BCR P11274 1/20 0.39
FLT3 P36888 1/20 0.39
AMY1A P0DUB6 1/20 0.38
SMAD3 P84022 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
LMNA P02545 3/20 0.37
PKM P14618 2/20 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
SCHEMBL14601535 0.79 AMY1A (0.51) PLAUALDH1A1KDM4EHPGDGAA
SCHEMBL28151599 0.79 PLAU (0.46) PLAUALDH1A1KDM4EHPGDGAA
SCHEMBL726012 0.76 PLAU (0.72) PLAUALDH1A1KDM4EHPGDGAA
SCHEMBL1405835 0.76 ALDH1A1 (0.47) PLAUALDH1A1KDM4EHPGDGAA
SCHEMBL7718077 0.76 PLAU (0.43) PLAUALDH1A1KDM4EHPGDGAA
SCHEMBL4376237 0.76 PLAU (0.43) PLAUALDH1A1KDM4EHPGDGAA
SCHEMBL22800202 0.76 KMT2A (0.44) ALDH1A1HPGDGAAUSP2PDE3B
SCHEMBL9306284 0.76 F7 (0.44) ALDH1A1KDM4EHPGDALOX15PDE3B
SCHEMBL18782889 0.76 MAPKAPK2 (0.49) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL19364508 0.76 HSD17B10 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 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 (3 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 PLAU 3632/4885ALDH1A1 201/4885KDM4E 553/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L PLAU 3685/4885ALDH1A1 132/4885KDM4E 437/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L PLAU 3685/4885ALDH1A1 132/4885KDM4E 437/4885

“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.