SCHEMBL20021735

SCHEMBL20021735

CCn1c(C)nnc1-c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 3/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
HDAC2 Q92769 3/20 0.47
ATM Q13315 1/20 0.47
PTK2 Q05397 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 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
SCHEMBL20025649 0.83 ALDH1A1 (0.52) KMT2AALDH1A1TP53CYP3A4TSHR
SCHEMBL2893738 0.82 ALDH1A1 (0.49) KMT2AALDH1A1TP53CYP3A4TSHR
SCHEMBL1544338 0.81 KMT2A (0.50) KMT2AALDH1A1TP53CYP3A4TSHR
SCHEMBL6246323 0.79 SMN1; SMN2 (0.65) KMT2AALDH1A1TP53CYP3A4TSHR
SCHEMBL26970988 0.79 ALDH1A1 (0.59) KMT2AALDH1A1TP53CYP3A4HPGD
SCHEMBL2893486 0.78 HDAC2 (0.48) KMT2AALDH1A1TP53CYP3A4TSHR
SCHEMBL6246318 0.78 KMT2A (0.60) KMT2AALDH1A1TP53CYP3A4TSHR
SCHEMBL1544493 0.74 SMN1; SMN2 (0.49) KMT2AALDH1A1CYP3A4TSHRHPGD
SCHEMBL5752992 0.72 HDAC2 (0.44) KMT2AALDH1A1TP53CYP3A4TSHR
SCHEMBL1544660 0.72 TDP1 (0.51) KMT2AALDH1A1TP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing VANDERBILT UNIVERSITY (US) 2024-01-02 US disclosed
US-20180092359-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING VANDERBILT UNIVERSITY 2018-04-05 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 (2 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-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing OR51E2, OR10J3, ORC3 KMT2A 3451/4885ALDH1A1 2481/4885TP53 2705/4885
US-20180092359-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING OR51E2, OR10J3, ORC3 KMT2A 3567/4885ALDH1A1 2668/4885TP53 2830/4885

“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.