SCHEMBL5013102

SCHEMBL5013102

O=C(NCc1ccccc1)N(F)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 1/20 0.46
EPHX1 P07099 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX12 P18054 1/20 0.46
EPHX2 P34913 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
SCHEMBL4793277 0.84 GAA (0.50) KMT2AMEN1TSHRGAACYP2D6
SCHEMBL29221790 0.81 ALDH1A1 (0.62) KMT2AMEN1TSHRGAACYP2D6
SCHEMBL23686835 0.79 NPC1 (0.62) KMT2AMEN1OPRM1OPRL1HPGD
SCHEMBL7096077 0.79 GAA (0.49) KMT2AMEN1TSHRGAACYP2D6
SCHEMBL6398244 0.78 NPC1 (0.50) KMT2AMEN1TSHRALDH1A1RAB9A
SCHEMBL3229771 0.76 OPRM1 (0.55) KMT2AMEN1TSHRGAACYP2D6
SCHEMBL22560026 0.76 LMNA (0.62) KMT2AMEN1TSHRGAAALDH1A1
SCHEMBL8366340 0.76 TP53 (0.50) KMT2AMEN1TSHRGAACYP2D6
SCHEMBL5013098 0.76 HDAC1 (0.51) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL1134867 0.76 TSHR (0.60) KMT2AMEN1TSHRGAACYP2D6

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 KMT2A 3968/4885MEN1 1437/4885TSHR 1034/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 KMT2A 4384/4885MEN1 1637/4885TSHR 113/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 KMT2A 4384/4885MEN1 1637/4885TSHR 113/4885

“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.