SCHEMBL774680

SCHEMBL774680

COc1cnc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 3/20 0.48
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
ABL1 P00519 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL777653 0.85 MEN1 (0.64) KMT2AALDH1A1LMNAMEN1KDM4E
SCHEMBL778050 0.81 KMT2A (0.60) DEGS1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL774842 0.81 KMT2A (0.60) DEGS1KMT2AALDH1A1LMNAMEN1
SCHEMBL775158 0.81 ABL1 (0.61) KMT2AALDH1A1LMNAMEN1KDM4E
SCHEMBL775208 0.79 KMT2A (0.64) KMT2AALDH1A1LMNAMEN1KDM4E
SCHEMBL777078 0.79 NPC1 (0.60) DEGS1KMT2AALDH1A1MEN1KDM4E
SCHEMBL3224360 0.78 RAB9A (0.71) DEGS1KMT2AALDH1A1MEN1KDM4E
SCHEMBL3218351 0.78 MEN1 (0.68) KMT2AALDH1A1LMNAMEN1KDM4E
SCHEMBL773490 0.78 MEN1 (0.57) KMT2AALDH1A1LMNAMEN1KDM4E
SCHEMBL775028 0.77 MEN1 (0.54) KMT2AALDH1A1LMNAMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US claimed
EP-1802606-B1 ARYLCARBOXAMIDES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2011-03-16 EP claimed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 US claimed
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US disclosed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US disclosed
EP-1802606-B1 ARYLCARBOXAMIDES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2011-03-16 EP disclosed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 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 (3 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-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 DEGS1 2315/4885KMT2A 3661/4885ALDH1A1 1939/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 DEGS1 2315/4885KMT2A 3661/4885ALDH1A1 1939/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 DEGS1 2323/4885KMT2A 3489/4885ALDH1A1 2043/4885

“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.