SCHEMBL15417618

SCHEMBL15417618

Cc1ccccc1Cn1cncn1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.58
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
BRD4 O60885 1/20 0.46
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
RAB9A P51151 1/20 0.41
CHRNE Q04844 1/20 0.41
CYP2A13 Q16696 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL17450350 0.82 CYP19A1 (0.58) CYP19A1CYP11B1BRD4HSP90AA1KMT2A
SCHEMBL28206179 0.79 CYP19A1 (0.58) CYP19A1BRD4HSP90AA1KMT2AALDH1A1
SCHEMBL19566595 0.79 CYP19A1 (0.58) CYP19A1BRD4HSP90AA1MAPT
SCHEMBL8936807 0.79 CYP19A1 (0.58) CYP19A1BRD4HSP90AA1MAPT
SCHEMBL4075410 0.79 CYP19A1 (0.58) CYP19A1BRD4HSP90AA1MAPT
SCHEMBL16446324 0.79 CYP19A1 (0.58) CYP19A1BRD4HSP90AA1MAPT
SCHEMBL940881 0.79 CYP19A1 (0.62) CYP19A1BRD4HSP90AA1KMT2APOLB
SCHEMBL15614316 0.78 CYP19A1 (0.53) CYP19A1BRD4HSP90AA1KMT2APOLB
SCHEMBL10204222 0.78 CYP19A1 (0.53) CYP19A1BRD4HSP90AA1MAPT
SCHEMBL13006753 0.78 CYP19A1 (0.53) CYP19A1BRD4HSP90AA1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169662-B1 SUBSTITUTED VINYL- AND ALKINYL-CYANOCYCLOALKANOLS AND VINYL- AND ALKINYL-CYANOHETEROCYCLOALKANOLS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-9169246-B2 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-10-27 US disclosed
US-9018228-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-04-28 US disclosed
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-21 US disclosed
US-20140221203-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US disclosed
US-8735588-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-27 US disclosed
US-20140088309-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-27 US disclosed
US-8623890-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-01-07 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 (3 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-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A CYP19A1 225/4885CYP11B1 11/4885CYP11B2 1/4885
US-20140221203-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 CYP19A1 1316/4885CYP11B1 2858/4885CYP11B2 3276/4885
US-20140088309-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 CYP19A1 1316/4885CYP11B1 2858/4885CYP11B2 3276/4885

“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.