SCHEMBL21474664

SCHEMBL21474664

Cc1ccc(C)c2sc(-c3cccnc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.52
CYP2C19 P33261 4/20 0.52
CYP1A2 P05177 3/20 0.52
LMNA P02545 2/20 0.52
CYP2A6 P11509 5/20 0.50
CYP2C9 P11712 4/20 0.50
CYP2E1 P05181 3/20 0.50
CYP2B6 P20813 3/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALOX5 P09917 1/20 0.47
CYP19A1 P11511 3/20 0.44
CYP2D6 P10635 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AXL P30530 1/20 0.44
PBRM1 Q86U86 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MEN1 O00255 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
SCHEMBL18873092 0.82 ADORA3 (0.49) LMNANPC1RAB9AALOX5KDM4E
SCHEMBL21474669 0.80 PIK3CD (0.44) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL22174649 0.79 RARA (0.49) CYP3A4LMNANPC1RAB9AALOX5
SCHEMBL266592 0.77 CYP3A4 (0.61) CYP3A4CYP2C19CYP1A2LMNACYP2A6
SCHEMBL12278149 0.76 CYP3A4 (0.60) CYP3A4CYP2C19CYP1A2LMNACYP2A6
SCHEMBL21474633 0.75 RARA (0.48) CYP3A4LMNANPC1RAB9AALOX5
SCHEMBL17590206 0.74 CYP3A4 (0.58) CYP3A4CYP2C19CYP1A2LMNACYP2A6
SCHEMBL290740 0.74 CYP3A4 (0.62) CYP3A4CYP2C19CYP1A2LMNACYP2A6
SCHEMBL1679638 0.74 CYP3A4 (0.58) CYP3A4CYP2C19CYP1A2LMNACYP2A6
SCHEMBL14242959 0.74 CYP3A4 (0.58) CYP3A4CYP2C19CYP1A2LMNACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115482-A1 MIXTURE, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, DISPLAY DEVICE, ANTIREFLECTION FILM, AND PRODUCTION METHOD FOR MIXTURE ZEON CORPORATION (JP) 2020-04-16 US disclosed
US-20200031971-A1 MIXTURE, POLYMERIZABLE COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, FLAT PANEL DISPLAY DEVICE, ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE, ANTIREFLECTION FILM, AND METHOD OF USING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2020-01-30 US disclosed
US-20190330399-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC BODY, POLARIZER, DISPLAY, AND ANTIREFLECTION FILM ZEON CORPORATION (JP) 2019-10-31 US disclosed
US-20190315893-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, DISPLAY DEVICE, AND ANTIREFLECTION FILM ZEON CORPORATION (JP) 2019-10-17 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-20190315893-A1 POLYMERIZABLE COMPOUND, MIXTURE, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC PRODUCT, POLARIZING PLATE, DISPLAY DEVICE, AND ANTIREFLECTION FILM CCNA1, CCNA2, ADRA1A CYP3A4 1495/4885CYP2C19 1093/4885CYP1A2 261/4885

“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.