SCHEMBL459134

SCHEMBL459134

Nc1c(Br)cccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA5A P35218 2/20 0.42
CA9 Q16790 2/20 0.42
HSD11B1 P28845 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM1A O60341 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
P2RX7 Q99572 1/20 0.36
TSHR P16473 2/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
IDO1 P14902 2/20 0.35
MPL P40238 1/20 0.35
ADRB2 P07550 2/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL31279653 1.00 CA1 (0.42) CA1CA2CA5ACA9HSD11B1
SCHEMBL396026 0.83 POLB (0.44) CA2SMN1; SMN2POLBALDH1A1TDP1
SCHEMBL30772352 0.80 SMN1; SMN2 (0.37) CA1CA2CA5ACA9HSD11B1
SCHEMBL18980143 0.79 GLA (0.37) CA1CA2CA5ACA9KDM1A
SCHEMBL31448549 0.78 THRA (0.42) CA1CA2CA5ACA9HSD11B1
SCHEMBL1530406 0.77 CA2 (0.44) CA1CA2CA5ACA9ALDH1A1
SCHEMBL16414055 0.76 MPL (0.44) HSD11B1POLBALDH1A1TDP1L3MBTL1
SCHEMBL476347 0.76 CD44 (0.42) SMN1; SMN2POLBALDH1A1TDP1L3MBTL1
SCHEMBL7191759 0.76 TAS2R14 (0.42) CA1CA2CA5ACA9HSD11B1
SCHEMBL29589903 0.76 CD44 (0.42) SMN1; SMN2POLBALDH1A1TDP1L3MBTL1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119100934-A Preparation method of 2-amino-3-bromobenzotrifluoride 帕潘纳(北京)科技有限公司 2024-12-10 CN claimed
CN-118388455-A Thermal delay fluorescent material based on trifluoromethyl modification, preparation method and electroluminescent device 内蒙古民族大学 2024-07-26 CN claimed
CN-119100934-A Preparation method of 2-amino-3-bromobenzotrifluoride 帕潘纳(北京)科技有限公司 2024-12-10 CN disclosed
CN-119100934-A Preparation method of 2-amino-3-bromobenzotrifluoride 帕潘纳(北京)科技有限公司 2024-12-10 CN disclosed
CN-119100934-A Preparation method of 2-amino-3-bromobenzotrifluoride 帕潘纳(北京)科技有限公司 2024-12-10 CN disclosed
US-20240343709-A1 SUBSTITUTED HETEROCYCLES AS ALDEHYDE DEHYDROGENASE INHIBITORS THE TRUSTEES OF PRINCETON UNIVERSITY 2024-10-17 US disclosed
US-12110293-B2 Substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-10-08 US disclosed
US-12054475-B2 Substituted heterocycles as aldehyde dehydrogenase inhibitors KAYOTHERA INC. (US) 2024-08-06 US disclosed
CN-118388455-A Thermal delay fluorescent material based on trifluoromethyl modification, preparation method and electroluminescent device 内蒙古民族大学 2024-07-26 CN disclosed
CN-113651710-B Preparation method of 3, 5-substituted-4-amino trifluoroacetophenone and derivatives thereof 台州臻挚生物科技有限公司 2024-06-21 CN disclosed
US-20240132469-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KAYOTHERA INC. (US) 2024-04-25 US disclosed
WO-2020016453-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2020-01-23 WO disclosed
CN-103153996-B As quinoline and the quinoxaline derivatives of kinase inhibitor UCB PHARMA S.A. (BE) 2016-01-27 CN disclosed
EP-2614061-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2015-05-20 EP disclosed
US-9029392-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2015-05-12 US disclosed
US-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-11-07 US disclosed
EP-2614061-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2013-07-17 EP disclosed
WO-2012032334-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2012-03-15 WO disclosed
US-3978040-A Process for the preparation of cyanoazo compounds by reacting halogenoazo compounds with CuCN in an aqueous media in the presence of a nitrogen base BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 US disclosed
US-3976633-A ANORECTIC, ANTIOBESITY SMITHKLINE CORPORATION (US) 1976-08-24 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 (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-20240343709-A1 SUBSTITUTED HETEROCYCLES AS ALDEHYDE DEHYDROGENASE INHIBITORS ALDH3A1, ALDH2, ALDH1A2 CA1 2082/4885CA2 933/4885CA5A 138/4885
US-12054475-B2 Substituted heterocycles as aldehyde dehydrogenase inhibitors ALDH3A1, ALDH2, ALDH1A2 CA1 2082/4885CA2 933/4885CA5A 138/4885
US-20240132469-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, ALDH2, PDK1 CA1 2020/4885CA2 876/4885CA5A 106/4885
US-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors MAP3K13, MAP4K3, MAP3K3 CA1 3521/4885CA2 1837/4885CA5A 2618/4885
US-12110293-B2 Substituted triazolo quinoxaline derivatives NR3C1, NR3C2, GRK5 CA1 3877/4885CA2 3220/4885CA5A 340/4885

“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.