SCHEMBL1430696

SCHEMBL1430696

CC(=O)Nc1cccc(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 2/20 0.52
HDAC1 Q13547 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
BDKRB1 P46663 1/20 0.47
MAOA P21397 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
CES2 O00748 1/20 0.45
BCHE P06276 1/20 0.45
CES1 P23141 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
SCHEMBL30368335 1.00 ALDH1A1 (0.52) ALDH1A1HPGDHDAC1KDM4ELMNA
SCHEMBL13414540 0.90 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL1430533 0.83 RAB9A (0.69) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL29408738 0.83 RAB9A (0.69) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL17724353 0.82 ALDH1A1 (0.66) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL6379676 0.82 ALDH1A1 (0.50) ALDH1A1HPGDHDAC1KDM4ELMNA
SCHEMBL863826 0.82 SMN1; SMN2 (0.61) ALDH1A1HPGDHDAC1KDM4ELMNA
SCHEMBL30002532 0.82 SMN1; SMN2 (0.61) ALDH1A1HPGDHDAC1KDM4ELMNA
SCHEMBL3949534 0.82 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL2089515 0.82 RAB9A (0.50) ALDH1A1LMNASMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4709139-B2 2011-06-22 JP claimed
JP-2006523660-A 2006-10-19 JP claimed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP claimed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO claimed
US-20230270729-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTIAN OCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2023-08-31 US disclosed
US-20230257351-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2023-08-17 US disclosed
EP-2300464-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2011-03-30 EP disclosed
WO-2009138707-A9 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-01-28 WO disclosed
WO-2009138707-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
WO-2005123737-A9 CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF TY OF ARIZONA ARIZONA BOARD OF (US) 2006-04-06 WO disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP 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-20230257351-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY P2RX2, P2RX5, P2RX3 ALDH1A1 882/4885HPGD 475/4885HDAC1 3162/4885
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D ALDH1A1 424/4885HPGD 177/4885HDAC1 557/4885
US-20230270729-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTIAN OCULAR DISORDERS P2RX2, P2RX4, P2RX5 ALDH1A1 2885/4885HPGD 1104/4885HDAC1 2243/4885

“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.