SCHEMBL1164397

SCHEMBL1164397

N#Cc1c(Br)sc(Br)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL10288391 0.73 MEN1 (0.33) MEN1KMT2A
SCHEMBL17468811 0.70 ALDH1A1 (0.37) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL12835979 0.67 BPTF (0.56) MEN1ALDH1A1TP53MAPTHPGD
SCHEMBL17194179 0.67 ALDH1A1 (0.46) MEN1ALDH1A1TP53MAPTHPGD
SCHEMBL11575580 0.67 ATM (0.37) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL31290789 0.67 ATM (0.37) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL13826033 0.67 ATM (0.37) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL846385 0.65
SCHEMBL30983774 0.65 ATM (0.36) MEN1ALDH1A1TP53CYP3A4MAPT
SCHEMBL11480603 0.65 ATM (0.36) MEN1ALDH1A1TP53CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435100-B2 Perovskite solar cells PURDUE RESEARCH FOUNDATION (US) 2025-10-07 US disclosed
US-11800784-B2 Two-dimensional halide perovskite materials PURDUE RESEARCH FOUNDATION (US) 2023-10-24 US disclosed
US-11800784-B2 Two-dimensional halide perovskite materials PURDUE RESEARCH FOUNDATION (US) 2023-10-24 US disclosed
CN-116496282-A Heterocyclic compound and application thereof 浙江八亿时空先进材料有限公司 2023-07-28 CN disclosed
CN-116375730-A Heterocyclic compound and application thereof 浙江八亿时空先进材料有限公司 2023-07-04 CN disclosed
US-20220246865-A1 PEROVSKITE SOLAR CELLS PURDUE RESEARCH FOUNDATION (US) 2022-08-04 US disclosed
CN-110156964-B P-type conjugated polymer containing 3, 4-dicyanothiophene, preparation method and application thereof 华南理工大学 2022-01-18 CN disclosed
US-20210343948-A1 Two-Dimensional Halide Perovskite Materials PURDUE RESEARCH FOUNDATION (US) 2021-11-04 US disclosed
US-10618889-B2 Thiophene monoamine based organic-inorganic hybrid perovskites PURDUE RESEARCH FOUNDATION (US) 2020-04-14 US disclosed
US-20200062740-A1 THIOPHENE MONOAMINE BASED ORGANIC-INORGANIC HYBRID PEROVSKITES PURDUE RESEARCH FOUNDATION (US) 2020-02-27 US disclosed
US-8927971-B2 Semiconducting compounds and devices incorporating same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2015-01-06 US disclosed
US-8927971-B2 Semiconducting compounds and devices incorporating same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2015-01-06 US disclosed
WO-2011020712-A2 OLIGOTHIOPHENES DERIVATIVES UNIVERSITE LIBRE DE BRUXELLES (BE) 2011-02-24 WO disclosed
WO-2011020712-A2 OLIGOTHIOPHENES DERIVATIVES UNIVERSITE LIBRE DE BRUXELLES (BE) 2011-02-24 WO disclosed
US-20100252112-A1 Semiconducting Compounds and Devices Incorporating Same POLYERA CORPORATION 2010-10-07 US disclosed
US-20100252112-A1 Semiconducting Compounds and Devices Incorporating Same POLYERA CORPORATION 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 (7 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-10618889-B2 Thiophene monoamine based organic-inorganic hybrid perovskites COMT, TYR, SLC6A3 MEN1 1578/4885ALDH1A1 751/4885TP53 2750/4885
US-20210343948-A1 Two-Dimensional Halide Perovskite Materials EYA2, BRAP, EYA3 MEN1 1450/4885ALDH1A1 2678/4885TP53 700/4885
US-20220246865-A1 PEROVSKITE SOLAR CELLS BCL3, MCL1, ANXA3 MEN1 390/4885ALDH1A1 2526/4885TP53 1495/4885
US-12435100-B2 Perovskite solar cells BCL3, MCL1, ANXA3 MEN1 390/4885ALDH1A1 2526/4885TP53 1495/4885
US-20100252112-A1 Semiconducting Compounds and Devices Incorporating Same HTT, SUV39H1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MEN1 69/4885ALDH1A1 2599/4885TP53 609/4885
US-11800784-B2 Two-dimensional halide perovskite materials EYA2, BRAP, EYA3 MEN1 1450/4885ALDH1A1 2678/4885TP53 700/4885
US-20200062740-A1 THIOPHENE MONOAMINE BASED ORGANIC-INORGANIC HYBRID PEROVSKITES COMT, TYR, SLC6A3 MEN1 1578/4885ALDH1A1 751/4885TP53 2750/4885

“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.