SCHEMBL5365072

SCHEMBL5365072

Cc1cc(C)n(Cc2cc(-c3cccnc3)n(-c3ccccc3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
USP8 P40818 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX5 P09917 1/20 0.41
HPGD P15428 3/20 0.40
PTGS2 P35354 2/20 0.40
MAPT P10636 2/20 0.40
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL5373710 0.76 KCNJ6 (0.44) PTGS2
Bromide SCHEMBL6597846 0.73 KMT2A (0.46) NPC1RAB9AALDH1A1HPGDPTGS2
SCHEMBL1194850 0.73 CYP1A2 (0.43) ALDH1A1MAPTCYP1A2CYP2C19POLB
SCHEMBL14133059 0.72 USP8 (0.72) NPC1RAB9ACA1CA2CA9
SCHEMBL15070241 0.72 USP8 (0.77) NPC1RAB9ACA1CA2CA9
Hydrochloric Acid SCHEMBL1194595 0.71 MAPT (0.38) NPC1RAB9AALDH1A1HPGDPTGS2
SCHEMBL10645870 0.71 NPC1 (1.00) NPC1RAB9ACNR1CNR2ALDH1A1
SCHEMBL1194848 0.71 PIK3CD (0.40) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL15070743 0.69 USP8 (0.67) NPC1RAB9ACA1CA2CA9
SCHEMBL12361461 0.68 NPC1 (0.93) NPC1RAB9ACNR1CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167493-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. 2007-07-19 US disclosed
US-7223777-B2 Compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. (IN) 2007-05-29 US disclosed
US-20030045554-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof TORRENT PHARMACEUTICALS LTD. 2003-03-06 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-20030045554-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof AGER, GLA, F12 NPC1 4509/4885RAB9A 2380/4885CA1 4487/4885
US-20070167493-A1 Novel compounds for the management of aging-related and diabetic vascular complications, process for their preparation, therapeutic and cosmetic uses thereof AGER, GLA, F12 NPC1 4596/4885RAB9A 2426/4885CA1 4436/4885

“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.