SCHEMBL13850517

SCHEMBL13850517

CC(C)(C)n1cnc(C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ADA P00813 7/20 0.42
▸ ADORA3 P0DMS8 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MC4R P32245 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ MC3R P41968 1/20 0.34
▸ SIRT6 Q8N6T7 2/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ NNMT P40261 1/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ AURKA O14965 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ RET P07949 1/20 0.30
▸ LTK P29376 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ CLK2 P49760 1/20 0.30
▸ CDK5 Q00535 1/20 0.30

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
SCHEMBL22290559 0.82 KDM4E (0.41) LMNAALDH1A1TSHR
SCHEMBL3585031 0.82 ADA (0.41) LMNAALDH1A1ADAADORA3TSHR
Hydrochloric Acid SCHEMBL25258396 0.81 KDM4E (0.41) LMNAALDH1A1
SCHEMBL22134231 0.81 KMT2A (0.44) LMNAALDH1A1ADAADORA3TSHR
SCHEMBL16543478 0.78 BAZ2B (0.39) LMNAALDH1A1TSHRKMT2ARET
SCHEMBL14498970 0.78 MEN1 (0.46) KMT2A
SCHEMBL16543479 0.78 ALDH1A1 (0.31) LMNAALDH1A1
SCHEMBL28218447 0.77 MEN1 (0.33) LMNAALDH1A1KMT2A
SCHEMBL28422181 0.74 ADA (0.47) ADAKMT2A
SCHEMBL16268515 0.74 NOTUM (0.49) LMNAALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505767-B2 Pyrazolo[1,5-A]pyrimidin-7(4H)-onehistone demethylase inhibitors GENENTECH, INC. (US) 2016-11-29 — — US disclosed
US-20150065522-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. 2015-03-05 — — US disclosed
CN-101679293-A Urocanic acid derivatives useful for the treatment of immune-related and inflammatory diseases VALETTA HEALTH B V 2010-03-24 — — CN disclosed
US-20090131370-A1 Novel Nucleoside Derivatives METABASIS THERAPEUTICS , INC. (US) 2009-05-21 — — 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-20090131370-A1 Novel Nucleoside Derivatives SLC29A1, SLC29A2, PNP LMNA 1218/4885ALDH1A1 1260/4885ADA 29/4885
US-20150065522-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM5A, KDM5B, KDM5C LMNA 2333/4885ALDH1A1 595/4885ADA 3123/4885

“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.

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