SCHEMBL16088740

SCHEMBL16088740

C#Cc1cccc(C(=O)CC2NC(=O)c3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 1/20 0.48
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD4 P21917 8/20 0.35
DRD3 P35462 2/20 0.35
GSK3B P49841 1/20 0.35
LMNA P02545 1/20 0.34
IDO1 P14902 2/20 0.34
DRD2 P14416 4/20 0.33

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
SCHEMBL16127985 0.88 HSD17B10 (0.53) HSD17B10CYP1A2KDM4EALDH1A1MAPT
SCHEMBL16088830 0.82 HSD17B10 (0.68) HSD17B10CYP1A2KDM4EALDH1A1MAPT
SCHEMBL16088741 0.77 HSD17B10 (0.57) HSD17B10CYP1A2KDM4EALDH1A1MAPT
SCHEMBL16088739 0.72 HSD17B10 (0.57) HSD17B10CYP1A2KDM4EALDH1A1MAPT
SCHEMBL22114109 0.72 HSD17B10 (0.57) HSD17B10CYP1A2KDM4EALDH1A1MAPT
SCHEMBL18215418 0.72 HSD17B10 (0.73) HSD17B10CYP1A2DRD4DRD3DRD2
SCHEMBL18215470 0.72 HSD17B10 (0.73) HSD17B10CYP1A2DRD4DRD3DRD2
SCHEMBL2645035 0.72 HSD17B10 (0.73) HSD17B10CYP1A2DRD4DRD3DRD2
SCHEMBL31133079 0.72 HSD17B10 (0.73) HSD17B10CYP1A2DRD4DRD3DRD2
SCHEMBL13995842 0.70 HSD17B10 (0.71) HSD17B10CYP1A2DRD4DRD3DRD2

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-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 US disclosed
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 US disclosed
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-18 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-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 HSD17B10 1408/4885CYP1A2 3874/4885KDM4E 3497/4885
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 HSD17B10 1408/4885CYP1A2 3874/4885KDM4E 3497/4885

“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.