SCHEMBL18782890

SCHEMBL18782890

COC(=O)c1ccc2[nH]c(I)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
RHEB Q15382 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 2/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CREBBP Q92793 1/20 0.48
HSD17B10 Q99714 1/20 0.47
PSMB8 P28062 1/20 0.47
KIF11 P52732 2/20 0.46

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
SCHEMBL1170648 0.84 KDM4E (0.61) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL5032566 0.83 HSP90AA1 (0.53) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL2098919 0.83 KDM4E (0.51) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL19364797 0.83 KIF11 (0.42) KDM4EALDH1A1L3MBTL1MAPTNPC1
SCHEMBL6217364 0.82 KDM4E (0.50) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL1193316 0.82 RHEB (0.54) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL27423398 0.82 KDM4E (0.50) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL1202574 0.82 KDM4E (0.50) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL29488678 0.82 KDM4E (0.50) KDM4EALDH1A1LMNAHTTL3MBTL1
Hydrochloric Acid SCHEMBL7324036 0.82 HSP90AA1 (0.51) KDM4EALDH1A1LMNAHTTL3MBTL1

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 KDM4E 553/4885ALDH1A1 201/4885LMNA 3064/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L KDM4E 437/4885ALDH1A1 132/4885LMNA 2786/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L KDM4E 437/4885ALDH1A1 132/4885LMNA 2786/4885

“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.