SCHEMBL5007989

SCHEMBL5007989

NC(=O)C(=O)N(Cc1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C19 P33261 1/20 0.42
CES1 P23141 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SERPINE1 P05121 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL10338250 0.86 MEN1 (0.46) MEN1KMT2AHTTL3MBTL1CYP2C19
SCHEMBL250885 0.83 CES1 (0.53) MEN1KMT2AHTTL3MBTL1CYP2C19
SCHEMBL24193442 0.80 MEN1 (0.47) MEN1KMT2AHTTL3MBTL1CYP2C19
SCHEMBL6648152 0.79 MEN1 (0.50) MEN1KMT2AHTTL3MBTL1CYP2C19
SCHEMBL1877690 0.76 KMT2A (0.51) MEN1KMT2AHTTL3MBTL1CYP2C19
SCHEMBL6682858 0.76 LMNA (0.53) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL5007991 0.75 MTOR (0.47) MEN1KMT2AHTTL3MBTL1CYP2C19
Hydrochloric Acid SCHEMBL8251166 0.74 SMN1; SMN2 (0.41) MEN1KMT2AHTTL3MBTL1CYP2C19
SCHEMBL25380127 0.74 LPAR1 (0.47) MEN1KMT2AHTTCYP2C19LMNA
SCHEMBL10782311 0.74 NPC1 (0.48) MEN1KMT2ANPC1RAB9ACA12

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-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 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-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN MEN1 1437/4885KMT2A 3968/4885HTT 526/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 MEN1 1637/4885KMT2A 4384/4885HTT 798/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 MEN1 1637/4885KMT2A 4384/4885HTT 798/4885

“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.