SCHEMBL793629

SCHEMBL793629

C[Si](C)(C)c1cc2c3nc4ccccc4nc3c3cc([Si](C)(C)C)sc3c2s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 8/20 0.36
▸ MYC P01106 1/20 0.36
▸ MAX P61244 1/20 0.36
▸ TLR8 Q9NR97 3/20 0.35
▸ TLR7 Q9NYK1 3/20 0.35
▸ TOP2A P11388 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ GPR3 P46089 1/20 0.33

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
SCHEMBL10085124 0.85 — —
SCHEMBL10085114 0.82 PIK3R1 (0.38) NQO2MEN1KMT2A
SCHEMBL793645 0.74 NQO2 (0.43) NQO2MYCMAXMAPTMEN1
SCHEMBL14691351 0.74 USP8 (0.30) —
SCHEMBL793314 0.73 MAP4K4 (0.47) MAPTMEN1KMT2AKDM4E
SCHEMBL793654 0.72 KDM4E (0.44) MAPTKMT2AKDM4E
SCHEMBL10085128 0.69 MAPT (0.41) MAPTMEN1KMT2AKDM4ECASP1
SCHEMBL10085120 0.69 — —
SCHEMBL24853579 0.68 TP53 (0.34) TLR8TLR7MAPTMEN1KMT2A
SCHEMBL12279119 0.66 — —

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-9716241-B2 Polycyclic dithiophenes BASF SE (DE) 2017-07-25 — — US disclosed
US-9716241-B2 Polycyclic dithiophenes BASF SE (DE) 2017-07-25 — — US disclosed
US-20160104849-A1 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2016-04-14 — — US disclosed
US-20160104849-A1 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2016-04-14 — — US disclosed
US-9233930-B2 Polycyclic dithiophenes BASF SE (DE) 2016-01-12 — — US disclosed
US-9233930-B2 Polycyclic dithiophenes BASF SE (DE) 2016-01-12 — — US disclosed
US-8436208-B2 Substituted oligo- or polythiophenes BASF SE (DE) 2013-05-07 — — US disclosed
US-8436208-B2 Substituted oligo- or polythiophenes BASF SE (DE) 2013-05-07 — — US disclosed
US-20120097935-A1 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2012-04-26 — — US disclosed
US-20120071617-A1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2012-03-22 — — US disclosed
US-20110062426-A1 SUBSTITUTED OLIGO- OR POLYTHIOPHENES BASF SE (DE) 2011-03-17 — — 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 (3 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-20110062426-A1 SUBSTITUTED OLIGO- OR POLYTHIOPHENES MRPL38, SLC39A7, SLC39A14 NQO2 3415/4885MYC 882/4885MAX 845/4885
US-20160104849-A1 POLYCYCLIC DITHIOPHENES C1R, C2CD5, CBR3 NQO2 1324/4885MYC 3240/4885MAX 4657/4885
US-20120097935-A1 POLYCYCLIC DITHIOPHENES C1R, IPO5, C2CD5 NQO2 2564/4885MYC 3387/4885MAX 4312/4885

“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.

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