SCHEMBL13490382

SCHEMBL13490382

O=C(NC1CCCC(c2nc3ccccc3[nH]2)C1)c1ccco1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 2/20 0.52
▸ GID4 Q8IVV7 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.46
▸ POLB P06746 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
Hydrochloric Acid SCHEMBL3199563 0.99 ALDH1A1 (0.51) ALDH1A1HPGDGID4MEN1KMT2A
SCHEMBL13490630 0.84 SMYD3 (0.56) GID4SMN1; SMN2NPC1RAB9AUSP30
SCHEMBL3222424 0.84 NPC1 (0.60) GID4SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL13490474 0.83 FPR1 (0.45) GID4SMN1; SMN2KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL3224400 0.83 SMYD3 (0.55) GID4SMN1; SMN2NPC1RAB9AUSP30
SCHEMBL13490398 0.82 SMN1; SMN2 (0.45) GID4SMN1; SMN2NPC1RAB9ATDP1
Hydrochloric Acid SCHEMBL3222484 0.81 SMN1; SMN2 (0.44) GID4SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL13490684 0.80 EPHX2 (0.50) GID4MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL13490676 0.80 SMN1; SMN2 (0.53) GID4KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL14192814 0.80 SMN1; SMN2 (0.53) GID4KMT2ASMN1; SMN2NPC1RAB9A

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 ALDH1A1 680/4885HPGD 4524/4885GID4 2961/4885

“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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