SCHEMBL4781095

SCHEMBL4781095

Clc1ccc(-c2cc[c]nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.41
CYP1A2 P05177 1/20 0.41
LTA4H P09960 1/20 0.38
NOTUM Q6P988 2/20 0.35
METAP2 P50579 1/20 0.35
BACE1 P56817 1/20 0.35
LMNA P02545 1/20 0.35
CYP2A6 P11509 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SCN2A Q99250 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKT2 P31751 3/20 0.33
EGLN1 Q9GZT9 1/20 0.33
TSHR P16473 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
SCHEMBL745572 0.83
SCHEMBL9509036 0.79
SCHEMBL2751540 0.79 AHR (0.56) AHRNOTUMNPC1RAB9AHAO1
SCHEMBL4778968 0.79 NISCH (0.41) PTGS2
SCHEMBL4780142 0.78 ESR1 (0.48) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL693851 0.78 NPC1 (0.35) NOTUMALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL1515112 0.78 ENPP3 (0.38) NOTUMMETAP2LMNANPC1RAB9A
SCHEMBL69790 0.77 ALDH1A1 (0.43) CYP1A2NOTUMCYP2A6NPC1RAB9A
SCHEMBL4775359 0.76 ALOX5 (0.43) NOTUMBACE1ALOX5NPC1RAB9A
SCHEMBL745205 0.76 MAPT (0.50) CYP1A2NOTUMLMNACYP2A6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008001160-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO claimed
US-20060247239-A1 Melanin concentrating hormone antagonists HU XIUFENG E 2006-11-02 US claimed
CN-108473428-B Preparation method of pyridine derivative compound, intermediate and crystal form thereof 上海嘉坦医药科技有限公司 2021-07-23 CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 AHR 1471/4885CYP1A2 659/4885LTA4H 3452/4885
US-20060247239-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R AHR 663/4885CYP1A2 690/4885LTA4H 1429/4885

“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.