SCHEMBL512419

SCHEMBL512419

Cc1[c]ccc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
AHR P35869 1/20 0.40
CYP1A2 P05177 2/20 0.39
BACE1 P56817 1/20 0.34
LMNA P02545 1/20 0.33
CYP2A6 P11509 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ERN1 O75460 1/20 0.33
PGR P06401 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 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
SCHEMBL1939273 0.84 ALDH1A1 (0.31) CYP3A4ALDH1A1
SCHEMBL2154634 0.83 MCL1 (0.41) RAB9ASMN1; SMN2KIF11ALDH1A1MEN1
SCHEMBL694738 0.81 PTGS2 (0.40) PTGS2PGR
SCHEMBL5201647 0.79 ALDH1A1 (0.46) CYP3A4NPC1RAB9ASMN1; SMN2KIF11
SCHEMBL2014607 0.79 TNKS2 (0.39) ALDH1A1PGR
SCHEMBL9004859 0.79 ESR1 (0.46) ALOX5MEN1KMT2A
SCHEMBL694507 0.78 ALDH1A1 (0.41) ALOX5LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL435265 0.78 ALOX5 (0.45) ALOX5AHRCYP1A2BACE1LMNA
SCHEMBL2432908 0.78 CYP17A1 (0.37) CYP1A2PTGS2CYP2C19ALDH1A1PGR
SCHEMBL4608932 0.77 HTR2B (0.36) AHRCYP3A4RAB9AALDH1A1MEN1

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
EP-0390693-B1 THIOFORMAMIDE DERIVATIVES RHONE-POULENC SANTE (FR) 1993-08-25 EP claimed
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR ALOX5 768/4885AHR 1383/4885CYP1A2 55/4885

“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.