SCHEMBL401252

SCHEMBL401252

Cc1[nH]c(C(=O)O)c(Cl)c1Br

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
GPR35 Q9HC97 2/20 0.36
ALDH1A1 P00352 1/20 0.33
PTK2 Q05397 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ABCC2 Q92887 1/20 0.30

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
SCHEMBL399721 0.83 HCAR2 (0.38) HCAR2GPR35ALDH1A1CYP1A2CYP3A4
SCHEMBL13330016 0.82 TOP2A (0.33) CYP1A2CYP3A4
SCHEMBL510562 0.80 HCAR2 (0.42) HCAR2
SCHEMBL5035539 0.78 GPR35 (0.46) GPR35ALDH1A1PTK2CYP1A2CYP3A4
SCHEMBL3117191 0.74 HCAR2 (0.41) HCAR2GPR35ALDH1A1PTK2CYP1A2
SCHEMBL13330260 0.71 GPR35 (0.40) GPR35ALDH1A1CYP1A2CYP3A4
SCHEMBL399174 0.71 ATM (0.49) GPR35ALDH1A1PTK2
SCHEMBL3399851 0.71 KDM4E (0.44) HCAR2ALDH1A1CYP3A4
SCHEMBL3116273 0.70 HCAR2 (0.36) HCAR2GPR35ALDH1A1PTK2CYP1A2
SCHEMBL13330015 0.69 TOP2A (0.35) CYP1A2CYP3A4

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
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-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-20120022107-A1 2-(PIPERIDIN-1-YL)-4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-01-26 US disclosed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 US disclosed
EP-1853586-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2007-11-14 EP disclosed
WO-2006087543-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-08-24 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 (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-20130150366-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, CFTR HCAR2 2991/4885GPR35 1534/4885ALDH1A1 419/4885
US-20120022107-A1 2-(PIPERIDIN-1-YL)-4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS PIR, TLR5, ALPI HCAR2 428/4885GPR35 674/4885ALDH1A1 57/4885
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES PIR, HAMP, AMPD2 HCAR2 3709/4885GPR35 1529/4885ALDH1A1 502/4885

“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.