SCHEMBL10129552

SCHEMBL10129552

C[C@H](CNc1ncccn1)NC(=O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FDPS P14324 1/20 0.37
MAPK1 P28482 1/20 0.35
ACACB O00763 2/20 0.34

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
SCHEMBL25587545 0.72 CYP1A2 (0.55) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL23894827 0.71 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL15185738 0.71 ESR1 (0.41) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL15218659 0.70 KDM4E (0.62) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL17353594 0.70 ALDH1A1 (0.52) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL11922543 0.69 ALDH1A1 (0.54) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL84102 0.67 BRAF (0.39)
SCHEMBL31107757 0.67 ACE (0.49)
SCHEMBL31536370 0.67 CYP2C19 (0.46) ALDH1A1MAPTLMNAHTTCYP1A2
SCHEMBL23894842 0.67 CYP2C19 (0.46) ALDH1A1MAPTLMNAHTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035154-A1 Modulators of Cellular Adhesion SARcode Bioscience, Inc. (US) 2012-02-09 US disclosed
US-7989626-B2 Modulators of cellular adhesion SAR code Corporation (US) 2011-08-02 US disclosed
US-20110124625-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 US disclosed
US-7928122-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2011-04-19 US disclosed
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 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 (5 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-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885MAPT 3828/4885MEN1 3127/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ALDH1A1 119/4885MAPT 3850/4885MEN1 3170/4885
US-20110124625-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885MAPT 3828/4885MEN1 3127/4885
US-20120035154-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885MAPT 3828/4885MEN1 3127/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ALDH1A1 111/4885MAPT 3830/4885MEN1 3197/4885

“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.