SCHEMBL13964458

SCHEMBL13964458

Cc1ccc(Cl)cc1C(=O)NCc1ccncc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.75
MAPK1 P28482 2/20 0.66
CYP3A4 P08684 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
GAA P10253 1/20 0.56
HPGD P15428 3/20 0.54
HTT P42858 4/20 0.53
MAPK14 Q16539 1/20 0.53
NAMPT P43490 1/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL25045867 0.86 HPGD (0.60) SMN1; SMN2MAPK1CYP3A4CYP1A2CYP2C9
SCHEMBL1913610 0.83 HTT (0.53) SMN1; SMN2MAPK1CYP3A4CYP1A2CYP2C19
SCHEMBL13161957 0.80 MAPK1 (1.00) SMN1; SMN2MAPK1GAAHPGDHTT
SCHEMBL14817967 0.78 GAA (0.63) SMN1; SMN2MAPK1CYP3A4GAAHTT
SCHEMBL9926533 0.77 SMN1; SMN2 (0.66) SMN1; SMN2MAPK1CYP3A4CYP1A2CYP2D6
SCHEMBL13947076 0.75 NR1H4 (0.71) SMN1; SMN2MAPK1CYP3A4GAAHPGD
SCHEMBL824657 0.75 JAK2 (0.49) SMN1; SMN2GAAHTTPOLBLMNA
SCHEMBL12900998 0.75 EGLN1 (0.57) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11445783 0.75 CA1 (0.57) CYP3A4CYP1A2CYP2C19HPGDLMNA
SCHEMBL29071802 0.74 KMT2A (0.53) SMN1; SMN2MAPK1CYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-05-17 US disclosed
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2014-12-04 US disclosed
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-08-21 US disclosed
US-8722669-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-13 US disclosed
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 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-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT SMN1; SMN2 489/4885MAPK1 4633/4885CYP3A4 2194/4885
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TYR, HRH2 SMN1; SMN2 1417/4885MAPK1 4010/4885CYP3A4 1823/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT SMN1; SMN2 489/4885MAPK1 4633/4885CYP3A4 2194/4885
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT SMN1; SMN2 489/4885MAPK1 4633/4885CYP3A4 2194/4885

“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.