SCHEMBL10168928

SCHEMBL10168928

CC(C)N1CC[C@@H](C(=O)Nc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.57
PKM P14618 1/20 0.54
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
KDM5A P29375 1/20 0.53
HPGD P15428 1/20 0.53
YAP1 P46937 1/20 0.52
TEAD4 Q15561 1/20 0.52
ME3 Q16798 1/20 0.52
FAAH O00519 1/20 0.52
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
KMT2A Q03164 1/20 0.51
GLA P06280 1/20 0.50
EPHX2 P34913 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 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
SCHEMBL20148032 1.00 ALDH1A1 (0.59) ALDH1A1MAPTPKMCARM1PRMT6
SCHEMBL16076618 0.92 HPGD (0.57) ALDH1A1MAPTPKMCARM1PRMT6
SCHEMBL18997929 0.92 HPGD (0.57) ALDH1A1MAPTPKMCARM1PRMT6
SCHEMBL16800289 0.91 ALDH1A1 (0.66) ALDH1A1MAPTCARM1PRMT6HPGD
SCHEMBL10168924 0.84 TRPV1 (0.54) PKMMEN1GAAKMT2AEPHX2
SCHEMBL20158643 0.83 MAPT (0.60) ALDH1A1MAPTCARM1PRMT6HPGD
SCHEMBL10212156 0.81 PKM (0.74) ALDH1A1MAPTPKMCARM1PRMT6
SCHEMBL20069165 0.81 PKM (0.74) ALDH1A1MAPTPKMCARM1PRMT6
SCHEMBL20137614 0.78 YAP1 (0.63) ALDH1A1MAPTCARM1PRMT6KDM5A
SCHEMBL20137615 0.78 YAP1 (0.63) ALDH1A1MAPTCARM1PRMT6KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT ALDH1A1 2193/4885MAPT 3529/4885PKM 981/4885

“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.