SCHEMBL9964256

SCHEMBL9964256

Cc1sc(C)c(C#N)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
HPGD P15428 6/20 0.40
HTT P42858 2/20 0.40
GRM6 O15303 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 7/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 3/20 0.32
KDM4E B2RXH2 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 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
SCHEMBL12111251 0.85 ALDH1A1 (0.50) ALDH1A1HPGDHTTGRM6SMN1; SMN2
SCHEMBL12111443 0.77 ALDH1A1 (0.32) ALDH1A1HPGDHTT
SCHEMBL17340101 0.77 ALDH1A1 (0.35) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL9961319 0.75 ALDH1A1 (0.32) ALDH1A1HPGDHTT
SCHEMBL11957553 0.75 GAA (0.41) ALDH1A1HPGDHTTGRM6SMN1; SMN2
SCHEMBL18430388 0.72 ALDH1A1 (0.39) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL13991784 0.71 ALDH1A1 (0.49) ALDH1A1HPGDHTTSMN1; SMN2CYP1A2
SCHEMBL8470075 0.71 ALDH1A1 (0.56) ALDH1A1HPGDHTTGRM6SMN1; SMN2
SCHEMBL14325522 0.70 ALDH1A1 (0.34) ALDH1A1HPGDSMN1; SMN2TP53HSD17B10
SCHEMBL18430377 0.69 MAPT (0.36) ALDH1A1HPGDHTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11800784-B2 Two-dimensional halide perovskite materials PURDUE RESEARCH FOUNDATION (US) 2023-10-24 US 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-8624232-B2 Ambipolar polymeric semiconductor materials and organic electronic devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-01-07 US disclosed
US-20120153274-A1 AMBIPOLAR POLYMERIC SEMICONDUCTOR MATERIALS AND ORGANIC ELECTRONIC DEVICES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-06-21 US disclosed
WO-2011025454-A1 AMBIPOLAR POLYMERIC SEMICONDUCTOR MATERIALS AND ORGANIC ELECTRONIC DEVICES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-03-03 WO 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 (4 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 ALDH1A1 751/4885HPGD 3930/4885HTT 88/4885
US-20210343948-A1 Two-Dimensional Halide Perovskite Materials EYA2, BRAP, EYA3 ALDH1A1 2678/4885HPGD 3773/4885HTT 502/4885
US-11800784-B2 Two-dimensional halide perovskite materials EYA2, BRAP, EYA3 ALDH1A1 2678/4885HPGD 3773/4885HTT 502/4885
US-20200062740-A1 THIOPHENE MONOAMINE BASED ORGANIC-INORGANIC HYBRID PEROVSKITES COMT, TYR, SLC6A3 ALDH1A1 751/4885HPGD 3930/4885HTT 88/4885

“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.