SCHEMBL9718073

SCHEMBL9718073

C=Cc1ccc(Br)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 6/20 0.43
TRPA1 O75762 1/20 0.38
MAPT P10636 3/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ALOX5 P09917 2/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ESR1 P03372 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
SCHEMBL30573080 1.00 TP53 (0.45) TP53TDP1ALDH1A1TRPA1MAPT
SCHEMBL5940996 0.84 TDP1 (0.46) TP53TDP1ALDH1A1TRPA1MAPT
SCHEMBL10871325 0.79 ALDH1A1 (0.50) ALDH1A1MAPTPKMCYP1A2CYP3A4
SCHEMBL2788648 0.78 ALDH1A1 (0.50) TP53TDP1ALDH1A1TRPA1MAPT
SCHEMBL29407001 0.78 ALDH1A1 (0.50) TP53TDP1ALDH1A1TRPA1MAPT
SCHEMBL293173 0.78 ALDH1A1 (0.50) TP53TDP1ALDH1A1TRPA1MAPT
SCHEMBL215089 0.78 TP53 (0.38) TP53TDP1ALDH1A1TRPA1MAPT
SCHEMBL16950606 0.77 ALDH1A1 (0.42) ALDH1A1MAPTPKMCYP1A2CYP3A4
SCHEMBL3432665 0.77 TDP1 (0.50) TP53TDP1ALDH1A1TRPA1MAPT
SCHEMBL1788343 0.77 ALDH1A1 (0.49) TDP1ALDH1A1MAPTHPGDTSHR

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
US-20250388541-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 US disclosed
US-20250145629-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2025-05-08 US disclosed
EP-4511117-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-12145939-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as ion channel modulators PRAXIS PRECISION MEDICINES, INC. (US) 2024-11-19 US disclosed
US-20240043433-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2024-02-08 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
WO-2023205465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
US-4994515-A Resin of styrene and unsaturated imide, high impact thermoplastic, bromine-containing reaction product, silicon resin or compound SHOWA DENKO KABUSHIKI KAISHA (JP) 1991-02-19 US disclosed
EP-0245475-B1 CATIONIC POLYMERIZATION OF BROMOALKENYL AROMATIC COMPOUNDS WITH AROMATIC CHAIN TRANSFER AGENT, AND PRODUCTS GENERAL ELECTRIC COMPANY (US) 1990-10-24 EP disclosed
EP-0348906-A1 Heat-resistant resin composition SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-01-03 EP disclosed
US-4755573-A Cationic polymerization of bromoalkenyl aromatic compounds with aromatic chain transfer agent, and products GENERAL ELECTRIC COMPANY (US) 1988-07-05 US disclosed
EP-0245475-A4 CATIONIC POLYMERIZATION OF BROMOALKENYL AROMATIC COMPOUNDS WITH AROMATIC CHAIN TRANSFER AGENT, AND PRODUCTS. GEN ELECTRIC (US) 1988-03-30 EP disclosed
EP-0245475-A1 CATIONIC POLYMERIZATION OF BROMOALKENYL AROMATIC COMPOUNDS WITH AROMATIC CHAIN TRANSFER AGENT, AND PRODUCTS. GEN ELECTRIC (US) 1987-11-19 EP disclosed
WO-1987002998-A1 CATIONIC POLYMERIZATION OF BROMOALKENYL AROMATIC COMPOUNDS WITH AROMATIC CHAIN TRANSFER AGENT, AND PRODUCTS GENERAL ELECTRIC COMPANY (US) 1987-05-21 WO disclosed
EP-0082252-B1 PROCESS FOR PRODUCING FLUORINE-CONTAINING ORGANIC COMPOUND Daikin Kogyo Co., Ltd. (JP) 1985-08-21 EP disclosed
US-4484993-A ULTRASONIC ENERGY DAIKIN KOGYO CO., LTD. (JP) 1984-11-27 US disclosed
EP-0082252-A1 Process for producing fluorine-containing organic compound Daikin Kogyo Co., Ltd. (JP) 1983-06-29 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 (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-12145939-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as ion channel modulators SCN1A, SCN2A, SCN5A TP53 4511/4885TDP1 2569/4885ALDH1A1 1576/4885
US-20250388541-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN1B, CLIC1, HCN1 TP53 4722/4885TDP1 3016/4885ALDH1A1 832/4885
US-20250145629-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A TP53 4802/4885TDP1 3478/4885ALDH1A1 1953/4885
US-20240043433-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A TP53 4802/4885TDP1 3478/4885ALDH1A1 1953/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 TP53 4382/4885TDP1 3607/4885ALDH1A1 1762/4885

“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.