SCHEMBL2019450

SCHEMBL2019450

CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.58
DCTPP1 Q9H773 2/20 0.54
VCAM1 P19320 1/20 0.53
KMT2A Q03164 1/20 0.52
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
PKM P14618 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
PTGER4 P35408 1/20 0.51
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
AR P10275 1/20 0.49
PELP1 Q8IZL8 1/20 0.49

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
SCHEMBL2248076 0.89 HCAR3 (0.74) HCAR3VCAM1KMT2AMAPTALDH1A1
SCHEMBL763439 0.87 HCAR3 (0.62) HCAR3VCAM1KMT2AMAPTALDH1A1
SCHEMBL5007870 0.86 LMNA (0.57) VCAM1KMT2AMAPTALDH1A1PKM
SCHEMBL17263068 0.86 ALDH1A1 (0.52) HCAR3VCAM1KMT2AMAPTALDH1A1
SCHEMBL9195511 0.85 HCAR3 (0.62) HCAR3VCAM1KMT2AMAPTALDH1A1
SCHEMBL3060501 0.85 HCAR3 (0.61) HCAR3DCTPP1KMT2AMAPTALDH1A1
SCHEMBL20266487 0.85 ALDH1A1 (0.67) HCAR3VCAM1KMT2AMAPTALDH1A1
SCHEMBL1528372 0.85 AR (0.55) VCAM1KMT2AMAPTALDH1A1PKM
SCHEMBL29560026 0.85 ALDH1A1 (0.67) HCAR3VCAM1KMT2AMAPTALDH1A1
SCHEMBL17184395 0.84 LMNA (0.72) VCAM1KMT2AMAPTALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040767-B2 Benzimidazole derivatives and uses thereof PELOTON THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. 2017-03-30 US disclosed
WO-2015175845-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2015-11-19 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO 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 (2 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-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF ACSS2, GLS2, ACSL3 HCAR3 2019/4885DCTPP1 1695/4885VCAM1 3948/4885
US-10040767-B2 Benzimidazole derivatives and uses thereof ACSS2, GLS2, ACSL3 HCAR3 2019/4885DCTPP1 1695/4885VCAM1 3948/4885

“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.