SCHEMBL4152901

SCHEMBL4152901

NC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)sc2c1CCCC2

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 12/20 0.81
ALDH1A1 P00352 4/20 0.70
HPGD P15428 4/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
GRIA2 P42262 2/20 0.65
GAA P10253 3/20 0.62
TSHR P16473 2/20 0.62
MAPT P10636 2/20 0.59
TP53 P04637 1/20 0.59
LMNA P02545 2/20 0.58
HSD17B10 Q99714 1/20 0.57
THRB P10828 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL3452157 0.91 GRM1 (0.75) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL13108879 0.90 GRM1 (0.68) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3478613 0.90 GRM1 (0.84) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL8226585 0.90 GRM1 (0.68) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL1007269 0.90 GRM1 (1.00) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL1007297 0.90 GRM1 (0.87) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL13108851 0.89 GRM1 (0.67) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL1005578 0.89 GRM1 (0.66) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4132111 0.88 ALDH1A1 (0.74) GRM1ALDH1A1HPGDMEN1KMT2A
SCHEMBL1007789 0.88 GRM1 (0.68) GRM1ALDH1A1HPGDMEN1KMT2A

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-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 US claimed
EP-1802634-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP claimed
WO-2006044826-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO claimed
US-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 US disclosed
EP-1802634-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP disclosed
WO-2006044826-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 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-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents TP53, BRDT, VHL GRM1 4114/4885ALDH1A1 1202/4885HPGD 2732/4885

“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.