SCHEMBL24904273

SCHEMBL24904273

Cn1cnc2cc(S(C)(C)C)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
GAA P10253 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 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
SCHEMBL29910147 0.81 CA12 (0.52) GRM5ALDH1A1MAPTHDAC1HDAC8
SCHEMBL5339617 0.81 ALDH1A1 (0.51) GRM5ALDH1A1MAPTHDAC1HDAC8
SCHEMBL10354572 0.75 HSD17B10 (0.55) ALDH1A1GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL434799 0.75 NPC1 (0.58) GRM5ALDH1A1MAPTHDAC1HDAC8
Pyrrole SCHEMBL10572488 0.74 HDAC1 (0.47) GRM5ALDH1A1MAPTHDAC1HDAC8
SCHEMBL6761540 0.73 GRM5 (0.51) GRM5ALDH1A1MAPTHDAC1HDAC8
SCHEMBL1496402 0.73 FGFR1 (0.54) GRM5ALDH1A1MAPTHDAC1HDAC8
SCHEMBL212673 0.73 MAPT (0.61) GRM5ALDH1A1MAPTHDAC1HDAC8
SCHEMBL16132873 0.73 GRM5 (0.51) GRM5ALDH1A1MAPTHDAC1HDAC8
SCHEMBL4814996 0.73 GRM5 (0.51) GRM5ALDH1A1MAPTHDAC1HDAC8

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-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TONGJI UNIVERSITY (CN) 2023-01-26 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-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TNNI3, TNNT2, MKI67 GRM5 4772/4885ALDH1A1 1360/4885MAPT 4785/4885

“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.