SCHEMBL12604282

SCHEMBL12604282

Cc1cn(C(=O)c2ccccc2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
ACHE P22303 1/20 0.47
BLM P54132 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
MGAM O43451 1/20 0.44
AMY1A P0DUB6 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
DAO P14920 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3172447 0.80 TSHR (0.50) HPGDACHEBLMSIGMAR1CYP3A4
SCHEMBL12604279 0.78 CES2 (0.48) HPGDACHECYP3A4CYP2C9CYP2C19
Methyl Alcohol SCHEMBL27278041 0.76 TSHR (0.46) HPGDACHEBLMSIGMAR1CYP3A4
SCHEMBL9525142 0.75 MAPT (0.41) HPGDACHESIGMAR1CYP3A4CYP2C9
SCHEMBL946095 0.75 TSHR (0.48) HPGDACHEBLMSIGMAR1CYP3A4
SCHEMBL1892160 0.73 TSHR (0.47) HPGDACHEBLMSIGMAR1CYP3A4
SCHEMBL11003826 0.71 CYP3A4 (0.57) HPGDACHEBLMCYP3A4CYP2C9
SCHEMBL23611618 0.71 NOTUM (0.33) HPGDACHECYP3A4POLBALDH1A1
SCHEMBL252026 0.70 HPGD (0.79) HPGDACHEBLMSIGMAR1POLB
SCHEMBL7129676 0.70 HPGD (0.79) HPGDACHEBLMSIGMAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943787-B2 Preparation of pentafluorosulfanyl (SF5) heterocycles: pyrroles and thiophenes UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-05-17 US disclosed
US-20110040103-A1 PREPARATION OF PENTAFLUOROSULFANYL (SF5) HETEROCYCLES: PYRROLES AND THIOPHENES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-02-17 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-20110040103-A1 PREPARATION OF PENTAFLUOROSULFANYL (SF5) HETEROCYCLES: PYRROLES AND THIOPHENES SF3B5, SFXN3, CXCR5 HPGD 2820/4885ACHE 3378/4885BLM 3237/4885

“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.