SCHEMBL22728477

SCHEMBL22728477

COc1cccnc1C(=O)Nc1nc(-c2ccc(C)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ LMNA P02545 4/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ MAPT P10636 6/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ POLB P06746 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ ESR1 P03372 1/20 0.55
▸ ESR2 Q92731 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ HTT P42858 4/20 0.54
▸ ADORA3 P0DMS8 2/20 0.54
▸ GSTO1 P78417 1/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ ROCK2 O75116 1/20 0.50
▸ ROCK1 Q13464 1/20 0.50

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
SCHEMBL22728557 0.86 KDM4E (0.62) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL26884351 0.84 KMT2A (0.60) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL22728556 0.81 KDM4E (0.67) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL12248896 0.80 ADORA3 (0.68) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL2753999 0.77 MEN1 (0.69) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL22728474 0.77 MAPT (0.59) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL18425638 0.76 RRM1 (0.63) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL16078325 0.76 MEN1 (0.62) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL235190 0.76 KDM4E (0.70) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL22728480 0.76 MEN1 (0.59) KDM4ESMN1; SMN2LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF CARTHRONIX INC (US) 2023-11-30 — — US disclosed
US-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF CARTHRONIX INC (US) 2023-11-30 — — US disclosed
US-11420964-B2 Compositions and methods for modulating inflammatory and degenerative disorder UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2022-08-23 — — US disclosed
WO-2022082071-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF US THEREOF CARTHRONIX, INC. (US) 2022-04-21 — — WO disclosed
US-20220048901-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER UNIVERSITY OF SOUTHERN CALIFORNIA 2022-02-17 — — US disclosed
US-20200377494-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER UNIVERSITY OF SOUTHERN CALIFORNIA 2020-12-03 — — 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 (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-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF STAT1, STAT3, STAT6 KDM4E 4225/4885SMN1; SMN2 4696/4885LMNA 4496/4885
US-11420964-B2 Compositions and methods for modulating inflammatory and degenerative disorder TNF, MSR1, GRN KDM4E 4725/4885SMN1; SMN2 1011/4885LMNA 1893/4885
US-20220048901-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER TNF, MSR1, GRN KDM4E 4725/4885SMN1; SMN2 1011/4885LMNA 1893/4885
US-20200377494-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER TNF, MSR1, GRN KDM4E 4725/4885SMN1; SMN2 1011/4885LMNA 1893/4885

“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.

Send feedback