SCHEMBL1661691

SCHEMBL1661691

COC(=O)c1ccc(C(=O)Cl)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.59
LMNA P02545 2/20 0.52
HPGD P15428 4/20 0.51
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.46
ERN1 O75460 1/20 0.46

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
SCHEMBL559830 0.89 VCAM1 (0.64) VCAM1LMNAHPGDALDH1A1NPSR1
SCHEMBL30525281 0.89 VCAM1 (0.64) VCAM1LMNAHPGDALDH1A1NPSR1
SCHEMBL11685716 0.88 VCAM1 (0.52) VCAM1LMNAHPGDALDH1A1NPSR1
SCHEMBL30304316 0.88 VCAM1 (0.56) VCAM1LMNAHPGDALDH1A1NPSR1
Methane SCHEMBL27578247 0.88 VCAM1 (0.62) VCAM1LMNAHPGDALDH1A1NPSR1
SCHEMBL2116235 0.86 VCAM1 (0.61) VCAM1LMNAHPGDALDH1A1NPSR1
SCHEMBL8000314 0.86 VCAM1 (0.61) VCAM1LMNAHPGDALDH1A1NPSR1
SCHEMBL11780686 0.84 KMT2A (0.61) LMNAHPGDALDH1A1NPSR1KMT2A
SCHEMBL667615 0.84 ALDH1A1 (0.53) VCAM1LMNAALDH1A1
SCHEMBL8887611 0.84 VCAM1 (0.58) VCAM1LMNAHPGDALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111592465-A Method for preparing 2-amino-4-aminomethyl methyl benzoate and hydrochloride thereof 武汉珈汇精化科技有限公司 2020-08-28 CN claimed
CN-111592465-A Method for preparing 2-amino-4-aminomethyl methyl benzoate and hydrochloride thereof 武汉珈汇精化科技有限公司 2020-08-28 CN disclosed
CN-111592465-A Method for preparing 2-amino-4-aminomethyl methyl benzoate and hydrochloride thereof 武汉珈汇精化科技有限公司 2020-08-28 CN disclosed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed
US-20060205772-A1 Amide derivatives and their use as inhibitors of 11-beta-hydroxysteroid dehydrogenase type I COPPOLA GARY M 2006-09-14 US disclosed
EP-1590319-A1 AMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Novartis AG (CH) 2005-11-02 EP disclosed
WO-2004065351-A1 AMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 NOVARTIS AG (CH) 2004-08-05 WO disclosed
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 US disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP 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 (2 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 VCAM1 256/4885LMNA 3214/4885HPGD 2237/4885
US-20060205772-A1 Amide derivatives and their use as inhibitors of 11-beta-hydroxysteroid dehydrogenase type I HSD11B1, HSD11B2, CYP11B1 VCAM1 2714/4885LMNA 1184/4885HPGD 239/4885

“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.