SCHEMBL13490374

SCHEMBL13490374

O=C(NC1CCCC(c2nc3ccccc3[nH]2)C1)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HTR2B P41595 2/20 0.49
▸ STK33 Q9BYT3 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CXCR6 O00574 1/20 0.43

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
Hydrochloric Acid SCHEMBL3199346 0.99 GRM5 (0.53) GRM5ALDH1A1L3MBTL1HTR2BSTK33
SCHEMBL3199520 0.85 ALDH1A1 (0.48) ALDH1A1HTR2BSMN1; SMN2CXCR6
SCHEMBL13490630 0.83 SMYD3 (0.56) HTR2BSMN1; SMN2
SCHEMBL13490663 0.83 SMN1; SMN2 (0.47) HTR2BSMN1; SMN2CXCR6
Hydrochloric Acid SCHEMBL3224400 0.82 SMYD3 (0.55) HTR2BSMN1; SMN2
SCHEMBL14192836 0.82 CHEK1 (0.46) HTR2BSMN1; SMN2CXCR6
SCHEMBL13490684 0.81 EPHX2 (0.50) HTR2BSMN1; SMN2MEN1KMT2ACXCR6
SCHEMBL13490400 0.81 HTR2B (0.56) GRM5ALDH1A1HTR2BSTK33SMN1; SMN2
SCHEMBL13490398 0.81 SMN1; SMN2 (0.45) GRM5L3MBTL1HTR2BSMN1; SMN2
SCHEMBL3222424 0.81 NPC1 (0.60) L3MBTL1HTR2BSMN1; SMN2

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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 — — US disclosed
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 — — 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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES ACIN1, HAT1, CCNE1 GRM5 4172/4885ALDH1A1 680/4885L3MBTL1 717/4885

“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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