SCHEMBL21892086

SCHEMBL21892086

Cc1cc(/C=C2\C(=O)c3ccccc3C2=C(C#N)C#N)sc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.43
ALDH1A1 P00352 10/20 0.43
KMT2A Q03164 9/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 7/20 0.39
PKM P14618 3/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
LCK P06239 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL23515519 0.82 MAPT (0.51) MAPTALDH1A1KMT2AHPGDNPSR1
SCHEMBL23515668 0.81 KMT2A (0.39) MAPTALDH1A1KMT2AHPGDNPSR1
SCHEMBL23515584 0.81 ALDH1A1 (0.40) MAPTALDH1A1KMT2AHPGDNPSR1
SCHEMBL23515592 0.80 KMT2A (0.41) MAPTALDH1A1KMT2AHPGDNPSR1
SCHEMBL18067392 0.80 NR1H2 (0.36) MAPTALDH1A1KMT2AHPGDNPSR1
SCHEMBL18067403 0.80 NR1H2 (0.36) MAPTALDH1A1KMT2AHPGDNPSR1
SCHEMBL26140183 0.80 MAPT (0.40) MAPTALDH1A1KMT2AHPGDNPSR1
SCHEMBL23515525 0.79 MAPT (0.39) MAPTALDH1A1KMT2AHPGDNPSR1
SCHEMBL26139703 0.79 ALDH1A1 (0.39) MAPTALDH1A1KMT2AHPGDNPSR1
SCHEMBL25441564 0.78 ALDH1A1 (0.38) MAPTALDH1A1KMT2AHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10629826-B2 Organic compound and photoelectric conversion element RICOH COMPANY, LTD. (JP) 2020-04-21 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-10629826-B2 Organic compound and photoelectric conversion element CCNE2, KCNH3, KCNC1 MAPT 2889/4885ALDH1A1 1166/4885KMT2A 1851/4885

“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.