SCHEMBL10022339

SCHEMBL10022339

Cc1cccn2cc(C(C)C)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.54
RAB9A P51151 11/20 0.54
ALDH1A1 P00352 9/20 0.54
KDM4E B2RXH2 9/20 0.54
SMN1; SMN2 Q16637 8/20 0.54
TP53 P04637 3/20 0.54
HSD17B10 Q99714 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
GAA P10253 1/20 0.53
PKM P14618 2/20 0.50
MAPT P10636 6/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
HTR4 Q13639 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL24371127 0.82 HTR4 (0.42) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1889616 0.81 PDE10A (0.51) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL23571851 0.81 HTR4 (0.41) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL18478948 0.80 NPC1 (0.52) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL15767859 0.78 HTR4 (0.40) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL27017631 0.78 HTR4 (0.45) KDM4EHSD17B10POLBHTR4
SCHEMBL31035877 0.78 ALDH1A1 (0.48) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3971488 0.77 NPC1 (0.61) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1888808 0.77 HTR4 (0.39) HTR4
SCHEMBL1889794 0.77 HTR4 (0.39) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 NPC1 256/4885RAB9A 2840/4885ALDH1A1 4342/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA NPC1 600/4885RAB9A 100/4885ALDH1A1 2674/4885

“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.