SCHEMBL231574

SCHEMBL231574

ClCSCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
IDO1 P14902 3/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CALM1 P0DP23 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL206 0.83 CYP2C19 (0.56) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5209412 0.80 CYP2C19 (0.54) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7136112 0.80 CYP2C19 (0.54) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5209418 0.80 CYP2C19 (0.54) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7029336 0.80 CYP2C19 (0.55) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11389034 0.79 CYP2C19 (0.48) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3078147 0.78 CYP2C19 (0.64) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL11465830 0.78 CYP2C19 (0.56) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8541503 0.78 CYP2C19 (0.52) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7138153 0.78 CYP2C19 (0.56) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116322094-A Perovskite solar cell passivated by sulfur-containing passivating agent 陕西师范大学 2023-06-23 CN claimed
EP-4676926-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2026-01-14 EP disclosed
CN-119136619-A Perovskite solar cell and chemical induction surface reconstruction preparation method 陕西师范大学 2024-12-13 CN disclosed
WO-2024184650-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS. ThirtyFiveBio Limited (GB) 2024-09-12 WO disclosed
US-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2024-01-11 US disclosed
CN-116322094-A Perovskite solar cell passivated by sulfur-containing passivating agent 陕西师范大学 2023-06-23 CN disclosed
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROPRO THERAPEUTICS, INC. 2022-03-10 US disclosed
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2019-05-23 US disclosed
EP-3006449-B1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE ALPHA-AMINO ACID USING CHIRAL METAL COMPLEX COMPRISING AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[C,E]AZEPIN-6-YL]ACETAMIDE COMPOUND AND AMINO ACID HAMARI CHEMICALS LTD (JP) 2018-01-31 EP disclosed
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2017-08-31 US disclosed
US-4309428-A Maytansinoids TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-01-05 US disclosed
EP-0025496-A1 Maytansinoids, their production and therapeutic compositions containing them Takeda Chemical Industries, Ltd. (JP) 1981-03-25 EP disclosed
US-4169849-A 11-DESOXY-15-THIAPROSTAGLANDINS PFIZER INC. (US) 1979-10-02 US disclosed
US-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4148804-A ANTIULCER AGENTS, SELECTIVITY PFIZER INC. (US) 1979-04-10 US disclosed
US-4129728-A ANTIULCER PFIZER INC. (US) 1978-12-12 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US disclosed
US-4092349-A ANTIULCER AGENTS PFIZER INC. (US) 1978-05-30 US disclosed
US-3988375-A HERBICIDES MONSANTO COMPANY (US) 1976-10-26 US disclosed
US-3974031-A Process for producing L-cysteine or its derivatives MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1976-08-10 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 (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-20240009153-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CYP2C19 656/4885CYP1A2 910/4885CYP3A4 733/4885
US-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CYP2C19 629/4885CYP1A2 936/4885CYP3A4 726/4885
US-20220071935-A1 BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 CYP2C19 656/4885CYP1A2 910/4885CYP3A4 733/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 CYP2C19 638/4885CYP1A2 746/4885CYP3A4 826/4885

“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.