SCHEMBL21166564

SCHEMBL21166564

c1cncc(-c2cc3cc4sc5cc6cc(-c7cccnc7)sc6cc5c4cc3s2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CYP2A6 P11509 10/20 0.44
CYP3A4 P08684 6/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2E1 P05181 6/20 0.44
CYP2C9 P11712 6/20 0.44
CYP2B6 P20813 6/20 0.44
CYP2C19 P33261 5/20 0.44
CYP2D6 P10635 4/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PIK3CD O00329 1/20 0.42
PIP5K1C O60331 1/20 0.42

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
SCHEMBL20911079 0.84 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21166599 0.81 ESR1 (0.56) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL23263944 0.78 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1133139 0.78 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21735520 0.76 ESR1 (0.69) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL17356258 0.74 ESR1 (0.49) ALDH1A1RAB9APIK3CAPI4KAPI4KB
SCHEMBL21166680 0.74 ESR1 (0.56) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL21735519 0.73 CYP11B2 (0.62) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL16472915 0.73 CYP11B1 (0.55) CYP2A6CYP3A4DYRK1ADYRK1BNPC1
SCHEMBL26325426 0.73 CYP2A6 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6

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
US-10985327-B2 Microcrystalline organic semiconductor film, organic semiconductor transistor, and method of manufacturing organic semiconductor transistor FUJIFILM CORPORATION (JP) 2021-04-20 US disclosed
US-20190237677-A1 MICROCRYSTALLINE ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR TRANSISTOR, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR TRANSISTOR FUJIFILM CORPORATION (JP) 2019-08-01 US disclosed
US-20190221754-A1 BOTTOM GATE TYPE ORGANIC SEMICONDUCTOR TRANSISTOR FUJIFILM CORPORATION (JP) 2019-07-18 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-20190237677-A1 MICROCRYSTALLINE ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR TRANSISTOR, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR TRANSISTOR OR10J3, ALK, MSMO1 HDAC3 4085/4885HDAC1 2888/4885HDAC2 2913/4885
US-10985327-B2 Microcrystalline organic semiconductor film, organic semiconductor transistor, and method of manufacturing organic semiconductor transistor OR10J3, ALK, MSMO1 HDAC3 4085/4885HDAC1 2888/4885HDAC2 2913/4885

“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.