SCHEMBL7588

SCHEMBL7588

O=c1[nH]ccc2cc(Br)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.53
PARP1 P09874 2/20 0.53
CYP2A6 P11509 1/20 0.53
NR4A2 P43354 1/20 0.53
CHEK1 O14757 10/20 0.53
GRM5 P41594 1/20 0.51
METAP2 P50579 1/20 0.46
ROCK1 Q13464 2/20 0.45
ROCK2 O75116 1/20 0.45
PRKACA P17612 1/20 0.45
PRKCD Q05655 1/20 0.45
PRKG1 Q13976 1/20 0.45
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
CDC42BPA Q5VT25 1/20 0.45
Q6ZSR9 Q6ZSR9 1/20 0.45
BMP2K Q9NSY1 1/20 0.45
CDC42BPB Q9Y5S2 1/20 0.45
PIM3 Q86V86 2/20 0.44

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
SCHEMBL1868599 0.84 AHR (0.53) AHRPARP1CYP2A6NR4A2CHEK1
SCHEMBL29440599 0.84 AHR (0.53) AHRPARP1CYP2A6NR4A2CHEK1
SCHEMBL6005220 0.76 PARP1 (0.53) PARP1CHEK1GRM5ROCK1ROCK2
SCHEMBL1536304 0.76 CHEK1 (0.61) AHRPARP1NR4A2CHEK1GRM5
SCHEMBL1035426 0.76 PARP1 (0.53) PARP1GRM5ROCK1ROCK2PRKACA
SCHEMBL25151218 0.76 PARP1 (0.53) PARP1CHEK1GRM5ROCK1ROCK2
SCHEMBL1551818 0.76 AHR (0.53) AHRPARP1CHEK1GRM5ROCK1
SCHEMBL6797681 0.76 PARP1 (0.53) PARP1CHEK1GRM5ROCK1ROCK2
SCHEMBL4007368 0.76 PARP1 (0.53) PARP1CHEK1GRM5ROCK1ROCK2
SCHEMBL29809657 0.76 AHR (0.53) AHRPARP1CHEK1GRM5ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805204-A Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound 云南师范大学 2022-07-29 CN claimed
EP-4747244-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Limited (GB) 2026-05-27 EP disclosed
US-12622909-B2 Allosteric EGFR inhibitors and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-05-12 US disclosed
EP-4734979-A2 TMEM175 AGONISTS, COMPOSITIONS, AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2026-05-06 EP disclosed
WO-2026087442-A1 AMINO-IMIDAZOLE ANTIBACTERIAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2026-04-30 WO disclosed
EP-3941457-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2026-01-21 EP disclosed
US-12528814-B2 Bifunctional degraders of interleukin-1 receptor-associated kinases and therapeutic use thereof NURIX THERAPEUTICS, INC. (US) 2026-01-20 US disclosed
WO-2025235363-A1 CYCLIN-DEPENDENT KINASE 4 DEGRADERS BLUEPRINT MEDICINES CORPORATION (US) 2025-11-13 WO disclosed
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 US disclosed
US-20250332173-A1 COMPOUNDS AND METHODS FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC (US) 2025-10-30 US disclosed
EP-1105367-A1 SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID ESTERS Bayer Aktiengesellschaft (DE) 2001-06-13 EP disclosed
US-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US disclosed
WO-2000010963-A1 SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-02 WO disclosed
EP-0894088-A1 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-02-03 EP disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 WO disclosed
US-5731315-A Substituted sulfonic acid n- (aminoiminomethyl)phenylalkyl!-azaheterocyclamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-03-24 US disclosed
US-5350761-A Lipoxygenase inhibitors as antiinflammatory agents and antiallergens CIBA-GEIGY CORPORATION (US) 1994-09-27 US disclosed
US-5334600-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1994-08-02 US disclosed
US-5260316-A Lipoxygenase inhibitor CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed
EP-0526402-A1 Heteroaryl substituted hydroxylamine derivatives as lipoxygenase inhibitors CIBA-GEIGY AG (CH) 1993-02-03 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 (4 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-20250332173-A1 COMPOUNDS AND METHODS FOR MODULATING NUCLEIC ACID SPLICING SNRPA, NSUN2, SNRPA1 AHR 4576/4885PARP1 650/4885CYP2A6 4333/4885
US-12528814-B2 Bifunctional degraders of interleukin-1 receptor-associated kinases and therapeutic use thereof IRAK1, IRAK2, IRAK3 AHR 1911/4885PARP1 721/4885CYP2A6 3513/4885
US-12622909-B2 Allosteric EGFR inhibitors and methods of use thereof EGFR, ERBB3, ERBB2 AHR 524/4885PARP1 2860/4885CYP2A6 1236/4885
US-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 AHR 2502/4885PARP1 1/4885CYP2A6 3290/4885

“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.