SCHEMBL5550330

SCHEMBL5550330

O=C(Nc1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
PDK1 Q15118 1/20 0.66
PDK2 Q15119 1/20 0.66
PDK3 Q15120 1/20 0.66
PDK4 Q16654 1/20 0.66
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
NPC1 O15118 2/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.51
CNR2 P34972 1/20 0.51

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
SCHEMBL28530338 0.86 PDK1 (0.64) HDAC1HDAC7HDAC8HDAC6PDK1
SCHEMBL5549558 0.81 CA12 (0.59) CA12CA1CA2CA9NPC1
SCHEMBL3765919 0.81 CA12 (0.59) HDAC1HDAC7HDAC8HDAC6PDK1
SCHEMBL3549311 0.81 CA12 (0.59) CA12CA1CA2CA9NPC1
Trifluoroacetic Acid SCHEMBL5153804 0.80 PDK1 (0.53) HDAC1HDAC7HDAC8HDAC6PDK1
SCHEMBL4132599 0.79 RXFP1 (0.56) CA12CA9NPC1MEN1KMT2A
SCHEMBL28883 0.79 L3MBTL1 (0.79) HDAC1HDAC7HDAC8HDAC6PDK1
SCHEMBL3454327 0.79 CA12 (0.62) HDAC1HDAC7HDAC8HDAC6CA12
SCHEMBL1310823 0.79 HDAC1 (0.67) HDAC1HDAC7HDAC8HDAC6CA12
SCHEMBL20870704 0.79 EPHX2 (0.70) CA12CA1CA2CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447296-A Preparation method of p-chloroiodobenzene-14C 长沙贝塔医药科技有限公司 2024-01-26 CN claimed
CN-108516957-A A kind of preparation method of amides compound 湖南大学 2018-09-11 CN claimed
CN-117447296-A Preparation method of p-chloroiodobenzene-14C 长沙贝塔医药科技有限公司 2024-01-26 CN disclosed
CN-117447296-A Preparation method of p-chloroiodobenzene-14C 长沙贝塔医药科技有限公司 2024-01-26 CN disclosed
CN-114507867-B Preparation method of fluoroamide derivative 哈尔滨工业大学(深圳) 2023-04-14 CN disclosed
CN-114507867-A Preparation method of fluoroamide derivative 哈尔滨工业大学(深圳) 2022-05-17 CN disclosed
CN-108516957-A A kind of preparation method of amides compound 湖南大学 2018-09-11 CN 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
US-6921821-B2 Antagonists of melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1534703-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR ABBOTT LABORATORIES (US) 2005-06-01 EP disclosed
US-20040106645-A1 Antagonists of melanin concentrating hormone receptor MILLENNIUM PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2003106452-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-24 WO disclosed
EP-0365763-A1 Antiproliferative cyclic compounds AGOURON PHARMACEUTICALS, INC. (US) 1990-05-02 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-20070106080-A1 Process for production of 1-aryl-5-(trifluoromethyl)-1h-tetrazoles TH, NAT1, PAH HDAC1 2913/4885HDAC7 3308/4885HDAC8 3954/4885
US-20040106645-A1 Antagonists of melanin concentrating hormone receptor MCHR1, MCHR2, MC1R HDAC1 2175/4885HDAC7 3236/4885HDAC8 3808/4885

“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.