SCHEMBL178205

SCHEMBL178205

CCC(S)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.50
KCNH2 Q12809 1/20 0.50
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.48
KCNE1 P15382 2/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRM2 P08172 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
CYP3A4 P08684 1/20 0.42
KCNJ5 P48544 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
SCHEMBL178207 0.84 KCNA5 (0.51) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL15706913 0.83 SLC6A2 (0.45) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL506917 0.81 KCNA5 (0.52) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL29767197 0.81 KCNA5 (0.52) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL31744336 0.81 KCNA5 (0.52) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL7268370 0.81 KCNA5 (0.52) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL28588502 0.81 SLC6A2 (0.47) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL28454017 0.80 KCNA5 (0.47) KCNA5KCNH2CYP1A2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL30887852 0.79 KCNA5 (0.50) KCNA5KCNH2CYP1A2ALDH1A1TSHR
SCHEMBL65284 0.78 TSHR (0.62) KCNA5KCNH2CYP1A2ALDH1A1TSHR

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
CN-101018797-A Preparation of platinum (II) complexes PLATCO TECHNOLOGIES PROPRIETAR (ZA) 2007-08-15 CN claimed
EP-2390243-B1 PROCESS FOR PREPARING BISPHENOL MITSUBISHI CHEM CORP (JP) 2020-07-08 EP disclosed
US-8445731-B2 Process for producing bisphenol compound MITSUBISHI CHEMICAL CORPORATION (JP) 2013-05-21 US disclosed
US-20120010434-A1 PROCESS FOR PRODUCING BISPHENOL COMPOUND MITSUBISHI CHEMICAL CORPORATION (JP) 2012-01-12 US disclosed
EP-2390243-A1 PROCESS FOR PREPARING BISPHENOL Mitsubishi Chemical Corporation (JP) 2011-11-30 EP disclosed
US-20110256982-A1 INTERLOCK CIRCUIT FOR UTILITY VEHICLE PARK BRAKE DEERE & COMPANY 2011-10-20 US disclosed
CN-101018797-A Preparation of platinum (II) complexes PLATCO TECHNOLOGIES PROPRIETAR (ZA) 2007-08-15 CN 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-20120010434-A1 PROCESS FOR PRODUCING BISPHENOL COMPOUND SULT2A1, SULT1A1, PLPBP KCNA5 3451/4885KCNH2 2185/4885CYP1A2 1241/4885

“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.