SCHEMBL7065085

SCHEMBL7065085

CCCCSc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAOB P27338 9/20 0.56
MAOA P21397 8/20 0.56
AR P10275 3/20 0.54
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2A6 P11509 1/20 0.45
CYP19A1 P11511 4/20 0.44
MGLL Q99685 1/20 0.43

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
SCHEMBL23335180 0.95 KDM4E (0.53) KDM4ENPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL5694453 0.94 KDM4E (0.56) KDM4ENPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL2984524 0.93 KDM4E (0.54) KDM4ENPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL7846740 0.93 KDM4E (0.54) KDM4ENPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL7835337 0.93 KDM4E (0.54) KDM4ENPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL8386311 0.93 KDM4E (0.54) KDM4ENPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL2979985 0.93 KDM4E (0.54) KDM4ENPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL1017349 0.88 MAOB (0.59) KDM4ENPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL9097861 0.88 TSHR (0.59) KDM4ENPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL17608773 0.85 KDM4E (0.49) KDM4ENPC1ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1551878-B 17 beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORP 2011-08-10 CN disclosed
CN-1551878-A 17 beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases ���鹫˾ 2004-12-01 CN disclosed
US-20030187106-A1 Red, organge color; photostability, heat resistance MORETTI ROBERT (CH) 2003-10-02 US disclosed
US-6603020-B1 Exhibiting a red or orange fluorescence CIBA SPECIALTY CHEMICALS CORPORATION 2003-08-05 US disclosed
EP-1087005-A1 Fluorescent diketopyrrolopyrroles Ciba SC Holding AG (CH) 2001-03-28 EP 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-20030187106-A1 Red, organge color; photostability, heat resistance CBR1, CBR3, DPP8 KDM4E 2949/4885NPC1 1614/4885ALDH1A1 63/4885

“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.