SCHEMBL2027504

SCHEMBL2027504

CCCCc1ccc(C(=O)N[NH])cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.72
TRPV1 Q8NER1 2/20 0.62
RARB P10826 3/20 0.57
THRA P10827 2/20 0.56
THRB P10828 2/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SPHK2 Q9NRA0 2/20 0.52
SPHK1 Q9NYA1 2/20 0.52
NPC1 O15118 1/20 0.50
GALR3 O60755 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50

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
SCHEMBL19443009 0.84 PLK1 (0.74) PLK1TRPV1RARBTHRATHRB
SCHEMBL6919330 0.84 PLK1 (0.74) PLK1TRPV1RARBTHRATHRB
SCHEMBL6958590 0.84 PLK1 (1.00) PLK1TRPV1RARBTHRATHRB
SCHEMBL6958582 0.82 PLK1 (0.72) PLK1TRPV1RARBTHRATHRB
SCHEMBL10949157 0.82 PLK1 (0.72) PLK1TRPV1RARBTHRATHRB
SCHEMBL10949132 0.81 PLK1 (0.70) PLK1TRPV1RARBNPC1RAB9A
Hydrochloric Acid SCHEMBL8163518 0.81 PLK1 (0.70) PLK1TRPV1RARBTHRATHRB
SCHEMBL10948379 0.81 PLK1 (0.70) PLK1TRPV1RARBTHRATHRB
SCHEMBL7633932 0.79 PLK1 (0.68) PLK1TRPV1RARBTHRATHRB
SCHEMBL4476375 0.79 RARB (0.62) PLK1TRPV1RARBTHRATHRB

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-8207156-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-26 US disclosed
US-20110160181-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-06-30 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-20110160181-A1 SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS PIR, SYMPK, P2RX5 PLK1 905/4885TRPV1 569/4885RARB 3599/4885

“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.