SCHEMBL15964221

SCHEMBL15964221

Cc1ccc(C(=O)NNC(=O)c2ccc(N)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.79
GAA P10253 1/20 0.79
TDP1 Q9NUW8 2/20 0.65
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HTT P42858 2/20 0.56
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ACHE P22303 1/20 0.54
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
APEX1 P27695 1/20 0.53
CCR6 P51684 1/20 0.53
PTGS2 P35354 2/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL7103221 0.89 ALDH1A1 (1.00) ALDH1A1GAATDP1HDAC1HDAC6
SCHEMBL9921348 0.89 POLB (0.64) ALDH1A1GAATDP1RAB9ANPC1
SCHEMBL29949183 0.85 ALDH1A1 (0.56) ALDH1A1GAATDP1HTTRAB9A
SCHEMBL28357030 0.85 ALDH1A1 (0.83) ALDH1A1GAATDP1HDAC1HDAC6
SCHEMBL7863938 0.83 TP53 (0.60) ALDH1A1GAATDP1RAB9ANPC1
SCHEMBL23898944 0.82 RAB9A (0.81) TDP1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL682875 0.82 RAB9A (0.81) TDP1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL16436156 0.82 RAB9A (0.81) TDP1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL19601411 0.82 RAB9A (0.81) TDP1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL678705 0.82 RAB9A (0.81) TDP1RAB9ANPC1SMN1; SMN2KDM4E

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-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

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-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TYR, HRH2 ALDH1A1 174/4885GAA 209/4885TDP1 1753/4885
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT ALDH1A1 245/4885GAA 251/4885TDP1 1903/4885

“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.