SCHEMBL3107233

SCHEMBL3107233

Cc1cccc(Cn2ccnn2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.64
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HTR1A P08908 1/20 0.42
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
IDO1 P14902 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TDO2 P48775 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
SCHEMBL31286290 0.80 CYP19A1 (0.64) CYP19A1TDP1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL29820311 0.80 CYP19A1 (0.64) CYP19A1ALDH1A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL6479494 0.80 CYP19A1 (0.64) CYP19A1ALDH1A1TDP1CYP11B1CYP11B2
SCHEMBL16100647 0.80 CYP19A1 (0.64) CYP19A1TDP1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL29820100 0.80 CYP19A1 (0.69) CYP19A1ALDH1A1TDP1CYP11B1CYP11B2
SCHEMBL29471937 0.80 CYP19A1 (0.58) CYP19A1ALDH1A1POLBMEN1KMT2A
SCHEMBL3107251 0.80 CYP19A1 (0.58) CYP19A1ALDH1A1POLBMEN1KMT2A
SCHEMBL10194241 0.79 CYP19A1 (0.67) CYP19A1ALDH1A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL155247 0.78 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2POLBMAPT
SCHEMBL10053588 0.78 HTT (0.59) ALDH1A1TDP1CYP11B1CYP11B2HPGD

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-20220008887-A1 Swellable Organically Modified Silica as Nanoreactors APPALACHIAN STATE UNIVERSITY 2022-01-13 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 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 (2 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-20220008887-A1 Swellable Organically Modified Silica as Nanoreactors MSN, SORD, OGA CYP19A1 3099/4885ALDH1A1 2617/4885TDP1 956/4885
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 CYP19A1 1130/4885ALDH1A1 1198/4885TDP1 3993/4885

“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.