SCHEMBL9608955

SCHEMBL9608955

CCc1cc(C(F)(F)F)nn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL20642409 0.89 ALDH1A1 (0.39) ALDH1A1CYP3A4HSD17B10RAB9ANPC1
SCHEMBL12672048 0.84 RAB9A (0.37) ALDH1A1CYP3A4HSD17B10RAB9ANPC1
SCHEMBL1671495 0.82 KMT2A (0.39) ALDH1A1CYP3A4HSD17B10RAB9ANPC1
SCHEMBL20763621 0.82 RAB9A (0.36) ALDH1A1CYP3A4HSD17B10RAB9ANPC1
SCHEMBL4227497 0.82 RAB9A (0.36) ALDH1A1CYP3A4HSD17B10RAB9ANPC1
SCHEMBL12198285 0.82 KMT2A (0.39) ALDH1A1CYP3A4HSD17B10RAB9ANPC1
SCHEMBL9608912 0.82 KDM4E (0.47) KDM4ELMNA
SCHEMBL15730163 0.79 PDE4B (0.41) ALDH1A1CYP3A4HSD17B10RAB9ANPC1
SCHEMBL15730162 0.79 ALOX5 (0.38) ALDH1A1CYP3A4HSD17B10RAB9ANPC1
SCHEMBL18328100 0.79 GPR84 (0.45) ALDH1A1CYP3A4HSD17B10RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-10759808-B2 Monofunctional intermediates for ligand-dependent target protein degradation THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-09-01 US disclosed
US-20190134012-A1 COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION (GNF) 2019-05-09 US disclosed
US-20190119289-A1 MONOFUNCTIONAL INTERMEDIATES FOR LIGAND-DEPENDENT TARGET PROTEIN DEGRADATION UNIV MICHIGAN REGENTS (US) 2019-04-25 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
WO-2017120194-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-07-13 WO disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
US-20130012511-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-01-10 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-20110046152-A1 Amide Compounds, Preparation Methods and Uses Thereof SINOCHEM CORPORATION 2011-02-24 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 (11 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-20190119289-A1 MONOFUNCTIONAL INTERMEDIATES FOR LIGAND-DEPENDENT TARGET PROTEIN DEGRADATION MDM2, CD74, TNFSF10 ALDH1A1 1474/4885CYP3A4 2050/4885HSD17B10 2950/4885
US-20110046152-A1 Amide Compounds, Preparation Methods and Uses Thereof ACHE, MGAM, PGLS ALDH1A1 1163/4885CYP3A4 1218/4885HSD17B10 4498/4885
US-10759808-B2 Monofunctional intermediates for ligand-dependent target protein degradation MDM2, CD74, TNFSF10 ALDH1A1 1474/4885CYP3A4 2050/4885HSD17B10 2950/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 993/4885CYP3A4 1987/4885HSD17B10 1577/4885
US-20130012511-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3B, PDE3A, GUCY1B1 ALDH1A1 1570/4885CYP3A4 2236/4885HSD17B10 2052/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 ALDH1A1 2109/4885CYP3A4 3009/4885HSD17B10 3772/4885
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO2, SUMO1 ALDH1A1 1991/4885CYP3A4 733/4885HSD17B10 243/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH ALDH1A1 2986/4885CYP3A4 853/4885HSD17B10 3891/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885CYP3A4 247/4885HSD17B10 368/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALDH1A1 649/4885CYP3A4 247/4885HSD17B10 368/4885
US-20190134012-A1 COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS FGF1, COL2A1, FGFR3 ALDH1A1 27/4885CYP3A4 4180/4885HSD17B10 885/4885

“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.