SCHEMBL2940694

SCHEMBL2940694

N#Cc1cccc2c(CBr)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP19A1 P11511 2/20 0.40
PNMT P11086 1/20 0.39
IMPDH2 P12268 2/20 0.39
IMPDH1 P20839 2/20 0.39
DYRK1A Q13627 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
AR P10275 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL20631601 0.94 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL2462113 0.88 CYP19A1 (0.50) ALDH1A1MAPTSMN1; SMN2CA1CA2
SCHEMBL29559172 0.88 CYP19A1 (0.50) ALDH1A1MAPTSMN1; SMN2CA1CA2
SCHEMBL9313614 0.85 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2CA1CA2
SCHEMBL9371830 0.85 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL5684070 0.82 ANPEP (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL1378624 0.82 CA1 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL3883853 0.80 ALDH1A1 (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL2141182 0.80 GABRA1 (0.38) ALDH1A1TSHRHPGD
SCHEMBL45954 0.80 CA1 (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT

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-1931660-B1 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-08-01 EP disclosed
US-7834030-B2 Phenyl-[1,2,4]-oxadiazol-5-one derivatives, pharmaceutical compositions and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-16 US disclosed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
US-20080262036-A1 Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
EP-1931660-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007039178-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD SLC6A2 472/4885SLC6A4 1057/4885SLC6A3 204/4885
US-20080262036-A1 Phenyl-[1,2,4]-oxadiazol-5-one Derivatives, Pharmaceutical Compositions and Therapeutic Use Thereof GPR119, CPT1A, PC SLC6A2 1885/4885SLC6A4 979/4885SLC6A3 1072/4885

“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.