SCHEMBL5430741

SCHEMBL5430741

Nc1cc(C(F)(F)F)ccc1Sc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 5/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A4 P31645 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
PDE7A Q13946 3/20 0.41
PDE7B Q9NP56 1/20 0.39

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
SCHEMBL11704957 0.83 SLC6A2 (0.56) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL2850872 0.81 HPGD (0.58) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL3542952 0.81 MEN1 (0.43) ALDH1A1KDM4EHPGDMAPTLMNA
Hydrochloric Acid SCHEMBL4773912 0.79 MEN1 (0.39) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL7943862 0.77 HAO1 (0.50) MAPTNPSR1SLC6A4SLC6A2SLC6A3
SCHEMBL17986789 0.75 SLC6A2 (0.49) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL2965279 0.75 THRB (0.49) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL10615934 0.73 PDE7A (0.44) ALDH1A1MAPTLMNASLC6A4SLC6A2
SCHEMBL3277186 0.72 SLC6A2 (0.50) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL3542542 0.71 HTR2C (0.44) SLC6A4SLC6A2MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US disclosed
US-4459304-A MITICIDES, NEMATOCIDES, FUNGICIDES, BACTERICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-07-10 US disclosed
EP-0000156-B1 2-ARYLAMINO-3,5-DINITRO-BENZOTRIFLUORIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES. BAYER AG (DE) 1980-11-12 EP disclosed
EP-0004642-A1 Diaryl amines, process for their preparation and their use BAYER AG (DE) 1979-10-17 EP disclosed
EP-0000156-A1 2-Arylamino-3,5-dinitro-benzotrifluorides, process for their preparation and their use as pesticides. BAYER AG (DE) 1979-01-10 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 (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-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists HTR2B, HTR1A, HTR3B ALDH1A1 1702/4885KDM4E 2556/4885HPGD 1204/4885

“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.