SCHEMBL7796676

SCHEMBL7796676

c1ccc(C(c2ccccc2)(c2ccccc2)n2ccnn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
CYP19A1 P11511 9/20 0.42
KCNN4 O15554 3/20 0.41
KCNA3 P22001 2/20 0.41
NOTUM Q6P988 1/20 0.39
NR1I2 O75469 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TBXA2R P21731 2/20 0.37
CCKBR P32239 2/20 0.37
OPRK1 P41145 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KMT2A Q03164 2/20 0.37
KCNH2 Q12809 2/20 0.37
NR1H4 Q96RI1 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
SLC22A1 O15245 1/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 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
SCHEMBL7789691 0.83 KCNN4 (0.66) CYP11B1CYP11B2CYP19A1KCNN4KCNA3
SCHEMBL12989399 0.80 CYP19A1 (0.40) CYP11B1CYP11B2CYP19A1KCNN4KCNA3
SCHEMBL11017596 0.80 CYP19A1 (0.40) CYP11B1CYP11B2CYP19A1KCNN4KCNA3
SCHEMBL10503507 0.73 KMT2A (0.37) CYP11B1CYP11B2CYP19A1NOTUMKMT2A
SCHEMBL2392374 0.72 KCNN4 (0.69) CYP11B1CYP11B2CYP19A1KCNN4KCNA3
SCHEMBL9945358 0.72 CYP19A1 (0.41) CYP19A1KCNN4KCNA3NOTUMTBXA2R
SCHEMBL198143 0.71 NOTUM (0.45) CYP11B1CYP11B2CYP19A1KCNN4KCNA3
SCHEMBL20514257 0.70 CYP2C19 (0.40) CYP19A1NOTUMKMT2AMEN1CYP2C19
SCHEMBL10335454 0.67 CYP19A1 (0.42) CYP11B1CYP11B2CYP19A1NOTUMKMT2A
SCHEMBL14478094 0.65 CYP11B1 (0.40) CYP11B1CYP11B2CYP19A1KCNN4KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010011137-A1 Use of triphenylmethyl-1,2,3-triazoles URBAHNS KLAUS (DE) 2001-08-02 US disclosed
US-20010011137-A1 Use of triphenylmethyl-1,2,3-triazoles URBAHNS KLAUS (DE) 2001-08-02 US disclosed
US-20010011137-A1 Use of triphenylmethyl-1,2,3-triazoles URBAHNS KLAUS (DE) 2001-08-02 US disclosed
EP-0023286-B1 AZOLYL-ALKENOLS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1983-04-13 EP disclosed
US-4360528-A Combating fungi with 1-azolyl-1-propen-3-ols BAYER AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed
EP-0006538-B1 SULFENYLATED CARBAMOYL-TRIAZOLYL-O,N-ACETALS, THEIR PREPARATION AND USE AS FUNGICIDES BAYER AG (DE) 1981-12-02 EP disclosed
EP-0023286-A2 Azolyl-alkenols, process for their preparation and their use as fungicides BAYER AG (DE) 1981-02-04 EP disclosed
US-4239766-A Combating fungi with 1-(4-phenoxy)-3,3-dimethyl-2-(N-halogenoalkylmercapto-carbamoyloxy)-1-(1,2,4-triazol-1-yl)-butanes BAYER AKTIENGESELLSCHAFT (DE) 1980-12-16 US disclosed
EP-0006538-A1 Sulfenylated carbamoyl-triazolyl-O,N-acetals, their preparation and use as fungicides BAYER AG (DE) 1980-01-09 EP disclosed
US-3974174-A FUNGICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3972892-A FUNGICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 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-20010011137-A1 Use of triphenylmethyl-1,2,3-triazoles PNMT, NLN, TPMT CYP11B1 33/4885CYP11B2 18/4885CYP19A1 1909/4885

“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.