SCHEMBL9970028

SCHEMBL9970028

CN1CC[C@@H](NC(=O)Nc2cccnc2)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
POLB P06746 1/20 0.47
HTR2B P41595 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PDPK1 O15530 2/20 0.41
IDO1 P14902 1/20 0.41
MLLT1 Q03111 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL18536513 1.00 EPHX2 (0.50) EPHX2POLBHTR2BNPC1RAB9A
Hydrochloric Acid SCHEMBL2067781 0.99 EPHX2 (0.49) EPHX2POLBHTR2BNPC1RAB9A
SCHEMBL2068332 0.91 NPC1 (0.47) EPHX2POLBNPC1RAB9AKMT2A
SCHEMBL18536579 0.91 NPC1 (0.47) EPHX2POLBNPC1RAB9AKMT2A
SCHEMBL9970011 0.90 NPC1 (0.44) POLBNPC1RAB9APDPK1
Hydrochloric Acid SCHEMBL2067434 0.90 NPC1 (0.46) EPHX2POLBNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL2067203 0.89 NPC1 (0.44) POLBNPC1RAB9APDPK1
SCHEMBL2067007 0.89 MAPT (0.42) POLBNPC1RAB9APDPK1
Hydrochloric Acid SCHEMBL2068104 0.88 MAPT (0.42) POLBNPC1RAB9APDPK1
SCHEMBL13962126 0.88 PRMT5 (0.43) NPC1RAB9APDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 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 (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-20090005416-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 EPHX2 4587/4885POLB 1131/4885HTR2B 3323/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 EPHX2 4587/4885POLB 1131/4885HTR2B 3323/4885

“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.