SCHEMBL474171

SCHEMBL474171

Nc1cc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.61
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
BLM P54132 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
JAK2 O60674 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL2159925 0.82 MAPT (0.47) NOTUMRAB9ANPC1MEN1KMT2A
SCHEMBL16826415 0.81 KMO (0.50) NOTUMRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL31215055 0.80 KDM4E (0.46) NOTUMRAB9ANPC1MEN1KMT2A
SCHEMBL3358354 0.80 RAB9A (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2159980 0.80 PTGS2 (0.51) NOTUMRAB9ANPC1MEN1KMT2A
SCHEMBL16826106 0.79 NOTUM (0.64) NOTUMRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL9213944 0.79 RAB9A (0.59) NOTUMRAB9ANPC1MEN1KMT2A
SCHEMBL224856 0.79 RAB9A (0.61) NOTUMRAB9ANPC1MEN1KMT2A
SCHEMBL18489825 0.78 NPC1 (0.86) NOTUMRAB9ANPC1L3MBTL1MAPT
SCHEMBL2686660 0.78 MAPT (0.47) NOTUMRAB9ANPC1MEN1KMT2A

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 80 patents — showing the first 20. 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
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP claimed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US claimed
EP-3800186-B1 CYANOPYRROLIDINES AS DUB INHIBITORS FOR THE TREATMENT OF CANCER MISSION THERAPEUTICS LTD (GB) 2024-10-02 EP disclosed
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
US-11434245-B2 WNT pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-09-06 US disclosed
US-11434245-B2 WNT pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-09-06 US disclosed
US-11319287-B2 Cyanopyrrolidines as dub inhibitors for the treatment of cancer MISSION THERAPEUTICS LIMITED (GB) 2022-05-03 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
US-11014912-B2 Cyanopyrrolidine derivatives with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-05-25 US disclosed
US-20110183979-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 US disclosed
WO-2011089132-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-28 WO disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010109328-A1 ISOTHIAZOLO-PYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
WO-2010109334-A2 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-09-30 WO disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
US-4322429-A Isoxazolylbenzamides as insecticides ELI LILLY AND COMPANY (US) 1982-03-30 US disclosed
EP-0048162-A1 Isoxazolylbenzamides ELI LILLY AND COMPANY (US) 1982-03-24 EP 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 (9 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-11014912-B2 Cyanopyrrolidine derivatives with activity as inhibitors of USP30 USP30, USP39, USP28 NOTUM 2480/4885RAB9A 3387/4885NPC1 3540/4885
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 NOTUM 4592/4885RAB9A 334/4885NPC1 1167/4885
US-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885RAB9A 2177/4885NPC1 51/4885
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 NOTUM 1467/4885RAB9A 3098/4885NPC1 428/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885RAB9A 1162/4885NPC1 7/4885
US-11434245-B2 WNT pathway modulators WNT1, WNT3A, WNT3 NOTUM 3877/4885RAB9A 761/4885NPC1 162/4885
US-11319287-B2 Cyanopyrrolidines as dub inhibitors for the treatment of cancer USP30, USP39, UCHL1 NOTUM 1849/4885RAB9A 1495/4885NPC1 3497/4885
US-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 NOTUM 4217/4885RAB9A 1496/4885NPC1 795/4885
US-20110183979-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES PDE3A, PDE2A, PDE10A NOTUM 874/4885RAB9A 298/4885NPC1 1325/4885

“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.