Sugi Predict

Sugi Predict / Compounds / SCHEMBL3453160

SCHEMBL3453160

SCHEMBL3453160

CC(C)c1ccc(-c2csc(N(CCc3nnn[nH]3)Cc3cccs3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ LMNA P02545 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ SMN1; SMN2 Q16637 5/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 2/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30

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
SCHEMBL3453293 0.81 ALDH1A1 (0.33) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3453550 0.79 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3452179 0.78 GCGR (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3452451 0.77 ALDH1A1 (0.42) KDM4EALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL3453214 0.77 ALDH1A1 (0.41) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL1833263 0.77 MEN1 (0.42) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3452022 0.76 MEN1 (0.41) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL13109739 0.76 PPARD (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL13109743 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3452039 0.76 MEN1 (0.43) KDM4EALDH1A1HPGDMEN1KMT2A

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 2378/4885ALDH1A1 1513/4885HPGD 1777/4885

“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.