SCHEMBL13089101

SCHEMBL13089101

CCn1c(Cn2ccnc2-c2cccc(Cl)c2)nc2cc(CC3CCC(C)CC3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.38
MDM2 Q00987 3/20 0.37
BRD4 O60885 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
ACP1 P24666 2/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL3060367 0.89 RXFP1 (0.44) BRD4RXFP1MAPTALDH1A1GRM2
SCHEMBL3060244 0.84 BRD4 (0.40) BRD4RAB9AKMT2AMAPTALDH1A1
SCHEMBL3059704 0.84 TP53 (0.42) BRD4RAB9AKMT2AMAPTALDH1A1
SCHEMBL3057488 0.81 PDE4B (0.45) BRD4KMT2AMAPTALDH1A1GRM2
SCHEMBL3059869 0.81 CYP11B1 (0.41) BRD4RAB9AKMT2AMAPTALDH1A1
SCHEMBL3411110 0.81 BRD4 (0.39) BRD4RAB9AKMT2AMAPTALDH1A1
SCHEMBL3060227 0.79 MAPT (0.41) RXFP1KMT2AMAPTALDH1A1
SCHEMBL3062901 0.78 TP53 (0.42) KCNH2BRD4RAB9AKMT2AMAPT
SCHEMBL3065208 0.78 TSHR (0.45) BRD4RAB9AKMT2AMAPTALDH1A1
SCHEMBL3059306 0.78 ALDH1A1 (0.45) BRD4RAB9AKMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 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 (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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 KCNH2 552/4885MDM2 3914/4885BRD4 138/4885

“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.