SCHEMBL6752986

SCHEMBL6752986

Cc1ccc2cc(C(F)(F)F)ccc2[n+]1[O-]

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
ATM Q13315 2/20 0.34
METAP2 P50579 1/20 0.34
NPBWR1 P48145 1/20 0.34
KIF11 P52732 3/20 0.33
GAA P10253 1/20 0.31
MAPT P10636 2/20 0.31
PDE2A O00408 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
KDM4E B2RXH2 2/20 0.31
PTPN5 P54829 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL26431672 0.81 BACE1 (0.39) BACE1METAP2NPBWR1KIF11MAPT
SCHEMBL9736974 0.77 CYP1A2 (0.39) BACE1ATMMAPTKDM4EALDH1A1
SCHEMBL9724136 0.76 CYP2A6 (0.48) BACE1ATMGAAMAPTKDM4E
SCHEMBL6754223 0.76 PPM1A (0.38) KIF11GAAPIM1KDM4E
SCHEMBL9736952 0.73 CYP2A6 (0.39) ATMMAPTKDM4EALDH1A1
SCHEMBL17186135 0.73 CYP2A6 (0.39) BACE1ATMMAPTKDM4EALDH1A1
SCHEMBL6756041 0.72 KIF11 (0.31) BACE1KIF11GAAPIM1PIM2
SCHEMBL6090040 0.70 ACHE (0.49) GAAMAPTKDM4EALDH1A1
SCHEMBL9015227 0.70 KDM4E (0.39) ATMMAPTKDM4EALDH1A1
SCHEMBL7588186 0.70 BACE1 (0.56) BACE1METAP2KIF11PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713468-B2 AS ANTICONVULSANTS; FOR THERAPY AND PROPHYLAXIS OF ISCHAEMIAS, ANOXIA, NEURODEGENERATIVE DISEASES AVENTIS PHARMA S.A. (FR) 2004-03-30 US disclosed
US-6713265-B1 MEASURING THE BINDING OF GTP GAMMA S TO CELLS EXPRESSING Y5 RECEPTOR IN THE PRESENCE AND IN THE ABSENCE OF COMPOUND OF INTEREST SYNAPTIC PHARMACEUTICAL CORPORATION 2004-03-30 US disclosed
US-20030055031-A1 Methods of using thiazolobenzoheterocycles RHONE-POULENC RORER S.A. 2003-03-20 US disclosed
US-6448241-B1 THESE COMPOUNDS ARE ANTICONVULSANTS AND INTERFERE WITH GLUTAMATERGIC TRANSMISSION AND ARE THEREFORE USEFUL FOR THE TREATMENT OR PREVENTION OF ALL ISCHAEMIAS FOLLOWING CEREBROVASCULAR ACCIDENTS AVENTIS PHARMA S.A. (FR) 2002-09-10 US disclosed
US-6423715-B1 ANTICONVULSANTS AVENTIS PHARMA S.A. (FR) 2002-07-23 US disclosed
US-6288075-B1 ANTIEPILEPTIC AGENTS; NERVOUS SYSTEM, BRAIN, AND CARDIOVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2001-09-11 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-20030055031-A1 Methods of using thiazolobenzoheterocycles SLCO2B1, SLCO1B1, CYP21A2 BACE1 2868/4885ATM 3810/4885METAP2 1214/4885

“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.