SCHEMBL508616

SCHEMBL508616

Cc1[nH]c(C(=O)O)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.47
BLM P54132 3/20 0.46
ALOX15 P16050 2/20 0.46
NFKB1 P19838 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DAO P14920 1/20 0.46
EIF4A3 P38919 2/20 0.45
MEN1 O00255 2/20 0.43
CYP2C9 P11712 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43

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
SCHEMBL27773290 0.83 KCNA6 (0.39) GRIN1DAOEIF4A3HPGDGRIN2D
SCHEMBL13070795 0.81 CCNC (0.49) SMN1; SMN2KMT2ARHEBALDH1A1
SCHEMBL281598 0.78 ALOX15 (0.50) ALOX15HPGDKMT2AALDH1A1
SCHEMBL20645712 0.78 CYP1A2 (0.50) CYP1A2TSHRLMNAKDM4EMAPK1
SCHEMBL2940426 0.77 BLM (0.50) GRIN1BLMALOX15NFKB1SMN1; SMN2
SCHEMBL12777647 0.77 KDM4E (0.55) BLMALOX15NFKB1SMN1; SMN2DAO
SCHEMBL10879188 0.76 NOTUM (0.55) BLMALOX15NFKB1SMN1; SMN2DAO
SCHEMBL282290 0.76 GPR35 (0.48) BLMALOX15NFKB1SMN1; SMN2DAO
Hydrochloric Acid SCHEMBL11607586 0.76 GRIN1 (0.48) GRIN1BLMALOX15NFKB1SMN1; SMN2
SCHEMBL507897 0.75 ALOX15 (0.55) ALOX15SMN1; SMN2MEN1CYP2C9HPGD

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853586-B1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-07-24 EP disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 US disclosed
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
WO-2010067123-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 WO disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
WO-2010013222-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2010-02-04 WO disclosed
US-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1853586-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2007-11-14 EP disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
WO-2006087543-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-08-24 WO disclosed
EP-1664025-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026149-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2005-03-24 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 (5 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 GRIN1 1629/4885BLM 3517/4885ALOX15 1295/4885
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR GRIN1 2823/4885BLM 2827/4885ALOX15 1504/4885
US-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 SDHA, QDPR, PNKP GRIN1 403/4885BLM 3636/4885ALOX15 1681/4885
US-20130150366-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, CFTR GRIN1 3555/4885BLM 1338/4885ALOX15 1090/4885
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 GRIN1 2726/4885BLM 1056/4885ALOX15 3031/4885

“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.