SCHEMBL16739385

SCHEMBL16739385

CN(C)c1ccc2cc(-c3ccccc3F)c(=S)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ PSMB5 P28074 2/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ TERT O14746 1/20 0.33

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
SCHEMBL16739387 0.84 KDR (0.40) MAPTNPC1RAB9ARXFP1ALDH1A1
SCHEMBL16739386 0.69 TERT (0.49) MAPTNPC1RAB9ARXFP1ALDH1A1
SCHEMBL16739391 0.69 TERT (0.49) MAPTNPC1RAB9ARXFP1PSMB5
SCHEMBL18226915 0.68 TERT (0.46) MAPTNPC1RAB9ARXFP1ALDH1A1
SCHEMBL20145907 0.66 TERT (0.45) MAPTNPC1ALDH1A1CFTRKDM4E
SCHEMBL16739382 0.64 EGFR (0.48) NPC1RAB9ARXFP1L3MBTL1PSMB5
SCHEMBL4553044 0.61 AR (0.51) MAPTNPC1RXFP1ALDH1A1CFTR
SCHEMBL29279330 0.61 RAB9A (0.41) MAPTNPC1RAB9ARXFP1ALDH1A1
SCHEMBL7879959 0.61 BRD4 (0.56) MAPTALDH1A1KDM4ETERTAPP
SCHEMBL28890754 0.60 ALDH1A1 (0.50) MAPTALDH1A1PKML3MBTL1KDM4E

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-9873670-B2 Arylquinoline and analog compounds and use thereof to treat cancer UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2018-01-23 — — US disclosed
US-20160280652-A1 ARYLQUINOLINE AND ANALOG COMPOUNDS AND USE THEREOF TO TREAT CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2016-09-29 — — US disclosed
WO-2015077550-A1 ARYLQUINOLINE AND ANALOG COMPOUNDS AND USE THEREOF TO TREAT CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2015-05-28 — — WO 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-20160280652-A1 ARYLQUINOLINE AND ANALOG COMPOUNDS AND USE THEREOF TO TREAT CANCER CASP4, BAD, BID MAPT 3195/4885NPC1 2709/4885RAB9A 2008/4885

“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.

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