SCHEMBL3786349

SCHEMBL3786349

CN(C(=O)O)c1cc(C(F)(F)F)nn1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALPL P05186 1/20 0.35
▸ ALPI P09923 1/20 0.35
▸ KLKB1 P03952 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CARM1 Q86X55 2/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32

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
SCHEMBL27848714 0.81 ALDH1A1 (0.36) KDM4EALDH1A1RAB9ANPC1ALPL
SCHEMBL12982394 0.76 KDM4E (0.38) KDM4EALDH1A1KLKB1CARM1PTGS2
SCHEMBL12982933 0.75 PTGS2 (0.48) PTGS2PTGS1HDAC3HDAC4HDAC1
SCHEMBL2684769 0.74 CRHR1 (0.44) KDM4EALDH1A1POLBTSHRLMNA
SCHEMBL12506476 0.72 TGFBR1 (0.39) KDM4EALDH1A1
SCHEMBL287601 0.71 KDM4E (0.36) KDM4EALDH1A1RAB9ANPC1ALPL
SCHEMBL2686357 0.69 AKR1C3 (0.42) KDM4EALDH1A1MAPTHDAC3HDAC4
SCHEMBL14139243 0.66 LMNA (0.41) KDM4EALDH1A1POLBTSHRLMNA
SCHEMBL1051798 0.65 LMNA (0.35) KDM4EALDH1A1POLBTSHRLMNA
SCHEMBL3628802 0.65 POLB (0.42) POLBTSHRLMNATP53L3MBTL1

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
EP-2427435-B1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2017-06-14 — — EP disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 — — US disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 — — US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 — — US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 — — US disclosed
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2015-01-08 — — US disclosed
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2014-05-22 — — US disclosed
US-8592471-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2013-11-26 — — US disclosed
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 — — EP disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 — — US disclosed
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2010-12-30 — — 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 (5 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-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 KDM4E 2616/4885ALDH1A1 2236/4885RAB9A 4225/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 KDM4E 2471/4885ALDH1A1 2943/4885RAB9A 4104/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 KDM4E 2471/4885ALDH1A1 2943/4885RAB9A 4104/4885
US-20150011592-A9 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 KDM4E 2616/4885ALDH1A1 2236/4885RAB9A 4225/4885
US-20140142143-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 KDM4E 2616/4885ALDH1A1 2236/4885RAB9A 4225/4885

“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.

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