SCHEMBL4611641

SCHEMBL4611641

N#Cc1cccc(NC(=O)N2CCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.69
CYP2D6 P10635 2/20 0.66
HSD17B10 Q99714 1/20 0.66
ALDH1A1 P00352 6/20 0.64
CYP1A2 P05177 1/20 0.62
TSHR P16473 1/20 0.62
MEN1 O00255 1/20 0.62
RECQL P46063 1/20 0.62
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
CYP3A4 P08684 5/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.61
RAB9A P51151 1/20 0.61
MAPK1 P28482 1/20 0.61
FAAH O00519 1/20 0.60
USP2 O75604 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NAMPT P43490 1/20 0.59

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
SCHEMBL5003118 0.97 HIF1A (0.69) HIF1ACYP2D6HSD17B10ALDH1A1CYP1A2
SCHEMBL5008945 0.82 HIF1A (0.59) HIF1ACYP2D6HSD17B10ALDH1A1CYP1A2
SCHEMBL5912090 0.82 HIF1A (0.64) HIF1ACYP2D6HSD17B10ALDH1A1CYP1A2
SCHEMBL28363514 0.81 NAMPT (0.66) ALDH1A1MEN1KMT2ARAB9AFAAH
SCHEMBL5000022 0.81 GRIN2B (0.58) HIF1ACYP2D6HSD17B10ALDH1A1CYP1A2
SCHEMBL5003692 0.81 GRIN2B (0.58) HIF1ACYP2D6HSD17B10ALDH1A1CYP1A2
SCHEMBL21568200 0.80 NAMPT (0.70) HIF1AALDH1A1CYP1A2TSHRMEN1
SCHEMBL13148144 0.80 CYP3A4 (0.86) HIF1ACYP2D6HSD17B10ALDH1A1CYP1A2
SCHEMBL14808591 0.80 NAMPT (0.64) ALDH1A1MEN1KMT2ARAB9AFAAH
SCHEMBL5912821 0.78 HIF1A (0.63) HIF1ACYP2D6HSD17B10ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632255-B1 DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 HIF1A 1886/4885CYP2D6 205/4885HSD17B10 4277/4885

“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.