SCHEMBL3907301

SCHEMBL3907301

O=CC(c1ccncc1)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NFE2L2 Q16236 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
FLT3 P36888 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ACP3 P15309 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A2 P23975 1/20 0.37

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
SCHEMBL9729576 0.88 ACP3 (0.46) KMT2AMEN1ACP3CYP1A2CYP2C9
SCHEMBL1515745 0.86 ACP3 (0.50) KMT2AMEN1ACP3MAPTRAB9A
SCHEMBL6501611 0.84 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2NFE2L2KMT2A
SCHEMBL21778081 0.84 ACP3 (0.41) KMT2AMEN1ACP3CYP1A2CYP2C9
SCHEMBL11152058 0.84 ACP3 (0.41) KMT2AMEN1ACP3CYP1A2CYP2C9
SCHEMBL6501170 0.84 CYP19A1 (0.46) CYP19A1CYP11B1NFE2L2KMT2AMEN1
SCHEMBL6502262 0.81 ACP3 (0.35) CYP19A1CYP11B1CYP11B2NFE2L2ACP3
Methyl Alcohol SCHEMBL11234402 0.81 ACP3 (0.50) KMT2AMEN1SMN1; SMN2ACP3MAPT
SCHEMBL5184111 0.80 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2KMT2AMEN1
SCHEMBL3403146 0.80 CYP11B1 (0.41) CYP19A1CYP11B1CYP11B2NFE2L2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 CYP19A1 2827/4885CYP11B1 2166/4885CYP11B2 2363/4885

“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.