SCHEMBL2203469

SCHEMBL2203469

Clc1cccc(N2C[C@@H]3C[C@H]2C[N]3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
NOTUM Q6P988 2/20 0.38
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRB1 P08588 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL4770959 0.72 NOTUM (0.36) NOTUMADRB1HTTALOX5MGLL
SCHEMBL2205256 0.71 DRD2 (0.36) NOTUMHTTALDH1A1MAPT
SCHEMBL4922447 0.71 CHRNB2 (0.58)
Hydrochloric Acid SCHEMBL4932087 0.70 CHRNB2 (0.57)
SCHEMBL2201898 0.68 L3MBTL1 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10633008 0.68 HTR2A (0.44) HTR2AHTR2CHTR2BNOTUMHTR1A
SCHEMBL10349573 0.66 PRKCZ (0.48) HTR2AHTR2CHTR2BNOTUMHTR3E
SCHEMBL6867684 0.64 ALOX5 (0.43) HTR2AHTR2CHTR2BHTR3EHTR3B
SCHEMBL2203762 0.62 KDM4E (0.36) CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL395284 0.62 HTR2A (0.48) HTR2AHTR2CHTR2BNOTUMHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US 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 (1 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 HTR2A 2451/4885HTR2C 1689/4885HTR2B 1383/4885

“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.