Sugi Predict

Sugi Predict / Compounds / SCHEMBL3452467

SCHEMBL3452467

SCHEMBL3452467

Cc1ccc(-c2nc(N(CCC(=O)O)C3CCCC3)sc2Cl)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TP53 P04637 2/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ S1PR3 Q99500 2/20 0.34
▸ S1PR5 Q9H228 2/20 0.34
▸ CTSA P10619 2/20 0.34
▸ PI4KB Q9UBF8 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ITGB3 P05106 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
Hydrochloric Acid SCHEMBL3453962 0.99 KDM4E (0.41) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL3451282 0.88 MEN1 (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL13109481 0.85 CNR1 (0.44) CNR1
SCHEMBL13109479 0.82 CNR1 (0.35) CNR1CTSA
SCHEMBL13109482 0.82 MEN1 (0.39) MEN1KMT2AS1PR1S1PR3S1PR5
SCHEMBL13109465 0.80 ITGB3 (0.47) KDM4EMEN1ALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL3453013 0.79 ITGB3 (0.46) KDM4EMEN1ALDH1A1KMT2AMAPT
SCHEMBL13109470 0.78 PTGDR2 (0.40) KDM4EALDH1A1KMT2APTGDR2MAPT
SCHEMBL13109480 0.77 FFAR4 (0.38) MEN1ALDH1A1KMT2APTGDR2ITGB3
SCHEMBL3453729 0.75 CNR1 (0.42) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 — — US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 — — US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 — — US disclosed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 — — EP disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 — — US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 — — WO 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R KDM4E 2378/4885MEN1 1990/4885ALDH1A1 1513/4885

“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.