SCHEMBL4933726

SCHEMBL4933726

CN(Cc1ccc(F)cc1)C(=O)[C@@H](N)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.74
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TACR1 P25103 1/20 0.47
RIPK1 Q13546 1/20 0.47
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
EPHX1 P07099 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL3168587 1.00 TDP1 (0.74) TDP1KMT2AMEN1HPGDALDH1A1
Hydrochloric Acid SCHEMBL3239776 0.99 TDP1 (0.72) TDP1KMT2AMEN1HPGDALDH1A1
Hydrochloric Acid SCHEMBL3239786 0.99 TDP1 (0.72) TDP1KMT2AMEN1HPGDALDH1A1
SCHEMBL4204369 0.90 HPGD (0.59) TDP1KMT2AMEN1HPGDALDH1A1
SCHEMBL4192663 0.90 HPGD (0.59) TDP1KMT2AMEN1HPGDALDH1A1
Hydrochloric Acid SCHEMBL4208519 0.88 HPGD (0.58) TDP1KMT2AMEN1HPGDALDH1A1
Hydrochloric Acid SCHEMBL27601234 0.88 HPGD (0.58) TDP1KMT2AMEN1HPGDALDH1A1
Hydrochloric Acid SCHEMBL4198786 0.87 HPGD (0.56) TDP1KMT2AMEN1HPGDALDH1A1
Hydrochloric Acid SCHEMBL4203336 0.87 HPGD (0.56) TDP1KMT2AMEN1HPGDALDH1A1
Hydrochloric Acid SCHEMBL27583752 0.87 HPGD (0.56) TDP1KMT2AMEN1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010018547-A1 AMINOQUINOLINE COMPOUNDS PFIZER INC. (US) 2010-02-18 WO disclosed
WO-2009014674-A1 HETEROCYCLYLAMIDES AS GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO 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
CN-1914195-A Substituted quinoline compounds PFIZER PROD INC (US) 2007-02-14 CN 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 (2 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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 TDP1 2015/4885KMT2A 2256/4885MEN1 3927/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 TDP1 1722/4885KMT2A 4384/4885MEN1 1637/4885

“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.