SCHEMBL1313993

SCHEMBL1313993

O=Cc1cc(-c2cccc(Cl)c2)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MITF O75030 1/20 0.43
PKM P14618 1/20 0.43
GRM5 P41594 1/20 0.43
MAOB P27338 2/20 0.43
CRHBP P24387 1/20 0.43
GFER P55789 1/20 0.43
CRHR2 Q13324 1/20 0.43
IDO1 P14902 1/20 0.41
KMO O15229 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL1316982 0.81 RAB9A (0.51) NOTUMNPC1RAB9AL3MBTL1MAPT
SCHEMBL1312698 0.81 RAB9A (0.55) NOTUMNPC1RAB9AL3MBTL1MAPT
SCHEMBL20507167 0.81 GRM5 (0.43) NOTUMTP53MAPTSMN1; SMN2GRM5
SCHEMBL9209121 0.78 NOTUM (0.63) NOTUMNPC1RAB9AL3MBTL1TP53
SCHEMBL614637 0.76 RAB9A (0.58) NOTUMNPC1RAB9AL3MBTL1TP53
SCHEMBL28807148 0.75 CYP2A6 (0.56) NPC1RAB9ATP53MAPTTSHR
SCHEMBL20360173 0.75 NPC1 (0.36) NOTUMNPC1RAB9AL3MBTL1MAPT
SCHEMBL30702174 0.75 NPC1 (0.36) NOTUMNPC1RAB9AL3MBTL1MAPT
SCHEMBL12352625 0.75 NOTUM (0.59) NOTUMNPC1RAB9AL3MBTL1TP53
SCHEMBL19522443 0.75 NPC1 (0.70) NOTUMNPC1RAB9AL3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US claimed
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 US disclosed
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 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 (3 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-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 NOTUM 4592/4885NPC1 1167/4885RAB9A 334/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 NOTUM 4801/4885NPC1 2053/4885RAB9A 2257/4885
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 NOTUM 58/4885NPC1 126/4885RAB9A 2811/4885

“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.