SCHEMBL25313845

SCHEMBL25313845

NNc1cc(Br)cc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.38
NMT1 P30419 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.32
HTR6 P50406 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
SCHEMBL30412108 1.00 GPR35 (0.38) GPR35NMT1ALDH1A1MAPTCA1
SCHEMBL21225138 0.78 GPR35 (0.32) GPR35NMT1ALDH1A1MAPTCA1
Hydrochloric Acid SCHEMBL21225609 0.77 GPR35 (0.32) GPR35NMT1ALDH1A1MAPTCA1
SCHEMBL2139027 0.76 ALDH1A1 (0.52) ALDH1A1MAPTCA1CA2CA9
Hydrochloric Acid SCHEMBL20984782 0.74 ALDH1A1 (0.50) ALDH1A1MAPTCA1CA2CA9
Bromide SCHEMBL20984420 0.74 ALDH1A1 (0.50) ALDH1A1MAPTCA1CA2CA9
SCHEMBL10872330 0.74 ALDH1A1 (0.53) GPR35NMT1ALDH1A1CYP3A4
SCHEMBL9212429 0.73 NMT1 (0.38) NMT1
SCHEMBL10982842 0.73 CYP3A4 (0.50) ALDH1A1MAPTCA1CA2CA9
SCHEMBL1997699 0.73 CA1 (0.50) ALDH1A1MAPTCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179079-A1 HEXAHYDROPYRIDO[4,3-B]INDOLYL KETONE DERIVATIVES USEFUL AS CGAS MODULATORS VENTUS THERAPEUTICS U.S., INC. (US) 2025-06-05 US disclosed
EP-4496796-A1 HEXAHYDROPYRIDO[4,3-B]INDOLYL KETONE DERIVATIVES USEFUL AS CGAS MODULATORS Ventus Therapeutics U.S., Inc. (US) 2025-01-29 EP disclosed
US-20240246979-A1 cGAS INHIBITORS ELI LILLY AND COMPANY 2024-07-25 US disclosed
WO-2024137752-A1 AZEPINO[4,5-B]INDOLONE CGAS INHIBITORS ELI LILLY AND COMPANY (US) 2024-06-27 WO disclosed
US-20240018138-A1 PYRIDO[4,3-b]INDOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS VENTUS THERAPEUTICS U.S., INC. 2024-01-18 US disclosed
US-20240018138-A1 PYRIDO[4,3-b]INDOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS VENTUS THERAPEUTICS U.S., INC. 2024-01-18 US disclosed
US-20240018138-A1 PYRIDO[4,3-b]INDOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS VENTUS THERAPEUTICS U.S., INC. 2024-01-18 US disclosed
WO-2023235809-A1 CGAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-12-07 WO disclosed
US-20230391786-A1 cGAS INHIBITORS ELI LILLY AND COMPANY 2023-12-07 US disclosed
WO-2023183275-A1 HEXAHYDROPYRIDO[4,3-B]INDOLYL KETONE DERIVATIVES USEFUL AS CGAS MODULATORS VENTUS THERAPEUTICS U.S., INC. (US) 2023-09-28 WO disclosed
WO-2023183275-A1 HEXAHYDROPYRIDO[4,3-B]INDOLYL KETONE DERIVATIVES USEFUL AS CGAS MODULATORS VENTUS THERAPEUTICS U.S., INC. (US) 2023-09-28 WO disclosed
EP-4216940-A1 PYRIDO[4,3-B]INDOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Ventus Therapeutics U.S., Inc. (US) 2023-08-02 EP disclosed
CN-116209442-A Pyrido [4,3-b ] indole derivatives and their use as medicaments 万特斯治疗美国公司 2023-06-02 CN disclosed
WO-2022066851-A1 PYRIDO[4,3-b]INDOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS VENTUS THERAPEUTICS U.S., INC. (US) 2022-03-31 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 (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-20250179079-A1 HEXAHYDROPYRIDO[4,3-B]INDOLYL KETONE DERIVATIVES USEFUL AS CGAS MODULATORS CGAS, XDH, NPY1R GPR35 2138/4885NMT1 3991/4885ALDH1A1 1205/4885
US-20240018138-A1 PYRIDO[4,3-b]INDOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CGAS, LRRK2, ADSS2 GPR35 1032/4885NMT1 2224/4885ALDH1A1 1142/4885
US-20230391786-A1 cGAS INHIBITORS CGAS, STING1, TBK1 GPR35 3259/4885NMT1 1690/4885ALDH1A1 4135/4885
US-20240246979-A1 cGAS INHIBITORS CGAS, STING1, IRF3 GPR35 2979/4885NMT1 1348/4885ALDH1A1 4299/4885

“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.