SCHEMBL1473751

SCHEMBL1473751

N#CCc1nnc(-c2ccccc2)o1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ LMNA P02545 1/20 0.62
▸ RAB9A P51151 8/20 0.61
▸ NPC1 O15118 6/20 0.61
▸ SMN1; SMN2 Q16637 6/20 0.61
▸ HPGD P15428 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ GPR55 Q9Y2T6 1/20 0.61
▸ POLB P06746 2/20 0.56
▸ KMT2A Q03164 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ATAD2 Q6PL18 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL19343385 0.80 RAB9A (0.81) NOTUMALDH1A1LMNARAB9ANPC1
SCHEMBL27914869 0.77 ALDH1A1 (0.67) NOTUMALDH1A1LMNARAB9ANPC1
SCHEMBL275588 0.77 NOTUM (0.67) NOTUMALDH1A1LMNARAB9ANPC1
SCHEMBL8235977 0.77 ALDH1A1 (0.67) NOTUMALDH1A1LMNARAB9ANPC1
SCHEMBL8286970 0.77 NOTUM (0.67) NOTUMALDH1A1LMNARAB9ANPC1
SCHEMBL485159 0.77 ALDH1A1 (1.00) NOTUMALDH1A1LMNARAB9ANPC1
SCHEMBL28582160 0.77 NOTUM (1.00) NOTUMALDH1A1LMNARAB9ANPC1
SCHEMBL4652480 0.77 NOTUM (1.00) NOTUMALDH1A1LMNARAB9ANPC1
SCHEMBL17790248 0.76 RAB9A (0.64) NOTUMALDH1A1LMNARAB9ANPC1
SCHEMBL11006387 0.76 RAB9A (1.00) NOTUMALDH1A1LMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513832-B1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL MYERS SQUIBB CO (US) 2014-03-05 — — EP disclosed
US-7915283-B2 e.g. 1-[4-(1-Phenyl-1-(pyrazinyl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-pyrazinyl-6-azaindol-3-yl)-ethane-1,2-dione; viricides for prophylaxis of lympadenopathy associated virus; synergystic mixtures with immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 — — US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 — — US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 — — US disclosed
EP-1513832-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES Bristol-Myers Squibb Company (US) 2005-03-16 — — EP disclosed
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-09-23 — — US disclosed
WO-2004043337-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 — — WO disclosed
US-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-04-01 — — US disclosed
US-4268668-A FOR WOOL AND POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 — — 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 (3 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-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT NOTUM 1313/4885ALDH1A1 435/4885LMNA 4345/4885
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT NOTUM 1035/4885ALDH1A1 674/4885LMNA 4121/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT NOTUM 1313/4885ALDH1A1 435/4885LMNA 4345/4885

“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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