SCHEMBL21982508

SCHEMBL21982508

CCCCCCc1ccc(Cl)cc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KCNH2 Q12809 4/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
SIRT1 Q96EB6 1/20 0.39
CTRC Q99895 1/20 0.39
EPHX1 P07099 3/20 0.38

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
SCHEMBL20749281 0.92 CTRC (0.44) TYRMEN1KMT2ATP53CYP3A4
SCHEMBL12719187 0.85 TYR (0.43) TYRMEN1KMT2ATP53CYP3A4
SCHEMBL12964264 0.85 TYR (0.43) TYRMEN1KMT2ATP53CYP3A4
SCHEMBL8337975 0.84 CYP3A4 (0.40) CYP3A4TSHRKCNH2
SCHEMBL21982535 0.83 TYR (0.49) TYRMEN1KMT2ATP53CYP3A4
SCHEMBL16224885 0.83 ACLY (0.49) TYRMEN1KMT2ATP53CYP3A4
SCHEMBL11775528 0.83 ACLY (0.49) TYRMEN1KMT2ATP53CYP3A4
SCHEMBL29788059 0.83 TYR (0.39) TYRMEN1KMT2ATP53CYP3A4
SCHEMBL10412816 0.81 TYR (0.50) TYRMEN1KMT2ATP53CYP3A4
SCHEMBL28533171 0.81 TYR (0.50) TYRMEN1KMT2ATP53CYP3A4

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-3728237-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 TYR 4579/4885MEN1 3860/4885KMT2A 4518/4885

“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.