SCHEMBL855408

SCHEMBL855408

NCc1cc(F)c(Br)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.40
KDM1A O60341 2/20 0.40
KDM1B Q8NB78 1/20 0.40
TAAR1 Q96RJ0 5/20 0.34
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HTR2A P28223 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PNMT P11086 1/20 0.30
ENPP2 Q13822 1/20 0.30
ST14 Q9Y5Y6 1/20 0.30

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
Hydrochloric Acid SCHEMBL31472591 0.97 KDM1A (0.39) LOXL2KDM1AKDM1BTAAR1RAD52
SCHEMBL28811818 0.84 LOXL2 (0.33) LOXL2KDM1AKDM1B
SCHEMBL27846983 0.82 TAAR1 (0.46) LOXL2KDM1AKDM1BTAAR1HTR2A
SCHEMBL1764604 0.78 LOXL2 (0.43) LOXL2TAAR1HRH3PNMTENPP2
SCHEMBL24357673 0.76 KDM1A (0.37) KDM1AKDM1B
SCHEMBL19880893 0.76 LOXL2 (0.42) LOXL2TAAR1HRH3PNMTENPP2
SCHEMBL13527771 0.76 LOXL2 (0.42) LOXL2TAAR1HTR2AHRH3PNMT
SCHEMBL855473 0.74 ACHE (0.42) KDM1AKDM1B
SCHEMBL6302839 0.74 MEP1B (0.41) LOXL2TAAR1RAD52KMT2AENPP2
SCHEMBL22128462 0.74 KDM1A (0.35) KDM1AKDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024028604-A1 MORPHOLINE-3-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES HEPTARES THERAPEUTICS LIMITED (GB) 2024-02-08 WO disclosed
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-08 US disclosed
US-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-08 US disclosed
WO-2023278402-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
WO-2023278402-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
US-10654852-B2 Antibiotics and methods of using same THE BROAD INSTITUTE, INC. (US) 2020-05-19 US disclosed
US-20190240203-A1 NOVEL ANTIBIOTICS AND METHODS OF USING SAME THE BROAD INSTITUTE, INC. (US) 2019-08-08 US disclosed
WO-2018075871-A1 NOVEL ANTIBIOTICS AND METHODS OF USING SAME THE BROAD INSTITUTE, INC. (US) 2018-04-26 WO disclosed
US-9809553-B2 Isoquinoline compounds, a process for their preparation, and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 US disclosed
US-9809553-B2 Isoquinoline compounds, a process for their preparation, and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 US disclosed
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-05-18 US disclosed
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-05-18 US disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO 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-20190240203-A1 NOVEL ANTIBIOTICS AND METHODS OF USING SAME NRDC, TLR6, PEPD LOXL2 2775/4885KDM1A 1907/4885KDM1B 2216/4885
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 LOXL2 86/4885KDM1A 4126/4885KDM1B 4308/4885
US-10654852-B2 Antibiotics and methods of using same NRDC, PEPD, TREH LOXL2 3294/4885KDM1A 1434/4885KDM1B 1764/4885
US-20170137385-A1 ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLK, MYLK2, MYLK3 LOXL2 2956/4885KDM1A 3673/4885KDM1B 3352/4885
US-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 LOXL2 2878/4885KDM1A 91/4885KDM1B 114/4885

“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.