SCHEMBL8005946

SCHEMBL8005946

COC(=O)c1cccc(CNc2cc(Oc3ccccc3)ccc2N)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.52
▸ SENP1 Q9P0U3 1/20 0.49
▸ LOXL2 Q9Y4K0 1/20 0.49
▸ FFAR1 O14842 5/20 0.48
▸ CETP P11597 1/20 0.48
▸ SLC7A5 Q01650 1/20 0.46
▸ PPM1D O15297 1/20 0.46
▸ LNPEP Q9UIQ6 2/20 0.46
▸ CYP4F2 P78329 1/20 0.45
▸ CYP4A11 Q02928 1/20 0.45

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
SCHEMBL14878552 0.88 HIF1A (0.54) HIF1AHDAC8SENP1LOXL2FFAR1
SCHEMBL14420824 0.83 LOXL2 (0.58) HIF1ASENP1LOXL2SLC7A5PPM1D
SCHEMBL5179550 0.82 HIF1A (0.68) HIF1AHDAC8SENP1FFAR1
SCHEMBL23286785 0.82 CA1 (0.61) HIF1AHDAC8LOXL2LNPEP
SCHEMBL12139195 0.82 HDAC8 (0.52) HDAC8FFAR1
SCHEMBL1180032 0.79 LOXL2 (0.53) HIF1AHDAC8SENP1LOXL2SLC7A5
SCHEMBL521860 0.76 AKR1C3 (0.68) HDAC8
SCHEMBL8012083 0.76 HDAC8 (0.50) HDAC8FFAR1
SCHEMBL14165742 0.76 BTK (0.53) HIF1A
SCHEMBL15761753 0.75 HIF1A (0.85) HIF1AHDAC8SENP1LOXL2SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426607-B2 Substituted amino-benzimidazoles, medicaments comprimising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-23 — — US disclosed
US-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 — — US disclosed
WO-2009092566-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-30 — — 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 (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-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE PSEN1, AADAT, PSEN2 HIF1A 2881/4885HDAC8 925/4885SENP1 1806/4885

“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.

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