SCHEMBL5407734

SCHEMBL5407734

Clc1cc2nc(C3CCNCC3)[nH]c2cc1Cl

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 3/20 0.50
▸ CACNA1G O43497 1/20 0.48
▸ CACNA1H O95180 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ GMNN O75496 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ STAT6 P42226 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL14447537 0.88 KCNH2 (0.48) NPY5RNPC1RAB9A
SCHEMBL12209610 0.81 ALDH1A1 (0.57) NPY5RKDM4EMAPTLMNASMN1; SMN2
SCHEMBL14447538 0.81 NPC1 (0.51) NPY5RKDM4EMAPTLMNASMN1; SMN2
SCHEMBL14447476 0.81 NPC1 (0.50) KDM4EMAPTLMNASMN1; SMN2CYP1A2
SCHEMBL16609461 0.77 NPY5R (0.44) NPY5RCACNA1GCACNA1HKDM4EMAPT
SCHEMBL16599521 0.77 NPY5R (0.44) NPY5RCACNA1GCACNA1HKDM4EMAPT
SCHEMBL3728479 0.75 PARP1 (0.43) KDM4EMAPTNPC1RAB9AGFER
SCHEMBL2595517 0.75 TLR9 (0.48) NPC1RAB9APARP1
SCHEMBL7217488 0.75 PARP1 (0.46) KDM4EMAPTNPC1RAB9AGFER
SCHEMBL14447528 0.75 KDM4E (0.57) KDM4EMAPTSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 — — US disclosed
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 — — US disclosed
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 — — US disclosed
WO-2004047769-A2 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIBACTERIALS ISIS PHARMACEUTICALS, INC. (US) 2004-06-10 — — WO disclosed
US-20030187258-A1 Novel benzimidazole compounds US GOVERNMENT - SECRETARY FOR THE ARMY 2003-10-02 — — US disclosed
WO-2003066622-A1 NOVEL BENZIMIDAZOLE COMPOUNDS ISIS, PHARMACEUTICALS (US) 2003-08-14 — — 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-20030187258-A1 Novel benzimidazole compounds BRD4, BRI3BP, BRD3 NPY5R 4755/4885CACNA1G 4642/4885CACNA1H 4717/4885

“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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