SCHEMBL5545392

SCHEMBL5545392

O=C(Nc1cccc(Cl)c1)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
MAPT P10636 4/20 0.65
LMNA P02545 2/20 0.65
HTT P42858 2/20 0.65
ALDH1A1 P00352 2/20 0.65
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
TP53 P04637 1/20 0.56
BLM P54132 1/20 0.56
ANO1 Q5XXA6 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53

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
SCHEMBL20981664 0.87 L3MBTL1 (0.82) L3MBTL1MAPTRAB9ANPC1TP53
SCHEMBL11748968 0.84 MEN1 (0.67) MEN1KMT2AMAPTLMNAHTT
SCHEMBL5047364 0.82 NPSR1 (0.65) L3MBTL1MEN1KMT2AMAPTLMNA
SCHEMBL26623605 0.81 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AMAPTLMNA
SCHEMBL7080547 0.81 L3MBTL1 (0.53) L3MBTL1MEN1KMT2AMAPTLMNA
SCHEMBL826360 0.80 L3MBTL1 (0.67) L3MBTL1MEN1KMT2AMAPTLMNA
SCHEMBL29659984 0.80 L3MBTL1 (0.67) L3MBTL1MEN1KMT2ARAB9ANPC1
SCHEMBL5546915 0.80 L3MBTL1 (0.67) L3MBTL1MEN1KMT2ARAB9ANPC1
SCHEMBL10956636 0.79 MEN1 (0.71) MEN1KMT2AMAPTLMNAHTT
SCHEMBL7193391 0.79 L3MBTL1 (0.61) L3MBTL1MAPTALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126094-A Synthesis method of 2, 5-diaminopyrrole compound 华南理工大学 2023-11-28 CN disclosed
CN-110891560-A Dual modulators of farnesoid X receptor and soluble epoxide hydrolase 法兰克福大学 2020-03-17 CN disclosed
US-10336688-B2 Carbocyclic compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-02 US disclosed
US-10336688-B2 Carbocyclic compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-02 US disclosed
US-20190144375-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-05-16 US disclosed
US-20190144375-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-05-16 US disclosed
US-10189775-B2 Carbocyclic compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-01-29 US disclosed
US-10189775-B2 Carbocyclic compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-01-29 US disclosed
US-20180237382-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-08-23 US disclosed
EP-3341357-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2018-07-04 EP disclosed
WO-2017037595-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-03-09 WO disclosed
US-7282609-B2 Process for production of 1-aryl-5-(trifluoromethyl)-1H-tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-10-16 US disclosed
US-20070106080-A1 Process for production of 1-aryl-5-(trifluoromethyl)-1h-tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-05-10 US disclosed
EP-1671945-A1 PROCESS FOR PRODUCTION OF 1-ARYL-5-(TRIFLUOROMETHYL)-1H- TETRAZOLES Toyo Kasei Kogyo Company Limited (JP) 2006-06-21 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 (5 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-10336688-B2 Carbocyclic compounds as ROR gamma modulators RORB, RORC, RORA L3MBTL1 2030/4885MEN1 4176/4885KMT2A 2061/4885
US-10189775-B2 Carbocyclic compounds as ROR gamma modulators RORB, RORC, RORA L3MBTL1 2030/4885MEN1 4176/4885KMT2A 2061/4885
US-20190144375-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORC, RORA L3MBTL1 2246/4885MEN1 4078/4885KMT2A 2252/4885
US-20070106080-A1 Process for production of 1-aryl-5-(trifluoromethyl)-1h-tetrazoles TH, NAT1, PAH L3MBTL1 4817/4885MEN1 4576/4885KMT2A 1979/4885
US-20180237382-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORC, RORA L3MBTL1 2246/4885MEN1 4078/4885KMT2A 2252/4885

“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.