SCHEMBL4999849

SCHEMBL4999849

NCc1cccc(NC(=O)N2CCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
RECQL P46063 1/20 0.58
RAB9A P51151 3/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
HTT P42858 2/20 0.55
NPC1 O15118 2/20 0.53
POLB P06746 2/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FAAH O00519 3/20 0.50
HCRTR1 O43613 1/20 0.50

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
SCHEMBL4999588 0.97 KMT2A (0.62) ALDH1A1MEN1KMT2ANPSR1RECQL
SCHEMBL27715771 0.87 KDM4E (0.64) ALDH1A1MEN1KMT2ARAB9AHTT
SCHEMBL5003178 0.82 KDM4E (0.44) ALDH1A1MEN1KMT2ANPSR1RECQL
SCHEMBL10264661 0.82 RAB9A (0.67) ALDH1A1MEN1KMT2ANPSR1RECQL
SCHEMBL5008893 0.81 LMNA (0.51) RAB9ANPC1POLBTSHRLMNA
SCHEMBL4611488 0.81 LMNA (0.51) RAB9ANPC1POLBTSHRLMNA
Hydrochloric Acid SCHEMBL27684256 0.79 RAB9A (0.70) ALDH1A1MEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL28231864 0.78 POLB (0.56) ALDH1A1RAB9ANPC1POLBTSHR
SCHEMBL28336995 0.77 POLB (0.75) ALDH1A1MEN1KMT2ANPSR1RECQL
SCHEMBL432419 0.77 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ANPSR1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US 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
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 ALDH1A1 2963/4885MEN1 2273/4885KMT2A 2453/4885

“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.