SCHEMBL401039

SCHEMBL401039

CC(=O)c1cc2ccccc2n1C

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.73
SLC9A1 P19634 1/20 0.61
MAPT P10636 1/20 0.59
DAO P14920 2/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
IDO1 P14902 1/20 0.51
PHGDH O43175 1/20 0.49

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
SCHEMBL16599480 0.86 MCL1 (0.76) MCL1SLC9A1MAPTDAOMEN1
SCHEMBL117186 0.85 MCL1 (1.00) MCL1SLC9A1MAPTDAOMEN1
SCHEMBL2323444 0.83 MCL1 (0.71) MCL1SLC9A1MAPTDAOMEN1
Hydrochloric Acid SCHEMBL8600262 0.83 MCL1 (0.96) MCL1SLC9A1MAPTDAOMEN1
SCHEMBL2322980 0.83 MCL1 (0.71) MCL1SLC9A1MAPTDAOMEN1
SCHEMBL5748064 0.83 MCL1 (0.71) MCL1SLC9A1MAPTDAOMEN1
SCHEMBL10350688 0.81 MCL1 (0.69) MCL1SLC9A1MAPTDAOMEN1
SCHEMBL27467673 0.81 MCL1 (0.74) MCL1SLC9A1MAPTDAOMEN1
Potassium Ion SCHEMBL15876031 0.81 MCL1 (0.69) MCL1SLC9A1MAPTDAOMEN1
Hydrochloric Acid SCHEMBL28264080 0.81 MCL1 (0.69) MCL1SLC9A1MAPTDAOMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250120948-A1 Small Molecules G(alpha)I2 Inhibitors and Combination With Anticancer Drugs and Use Thereof CLARK ATLANTA UNIVERSITY 2025-04-17 US disclosed
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP disclosed
US-20230364053-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF PROSTATE CANCER OR BREAST CANCER TOKYO METROPOLITAN GERIATRIC HOSPITAL AND INSTITUTE OF GERONTOLOGY (JP) 2023-11-16 US disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 US disclosed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 US disclosed
EP-3521292-A1 BIFUNCTIONAL CYTOTOXIC AGENTS Pfizer Inc (US) 2019-08-07 EP disclosed
EP-2884981-B1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2018-06-20 EP disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
CN-1345724-A Indolylpiperidine compound and preparation process and use thereof SHANGHAI PHARMACEUTICAL INST C (CN) 2002-04-24 CN disclosed
EP-0279263-B1 INDOLE, BENZOFURAN, BENZOTHIOPHENE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-08-04 EP disclosed
EP-0291172-B1 KETONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed
US-5084474-A Antagonist of 5-hydroxytryptamine receptors on nerves and useful for treatment of psychotic disorders, anxiety, and nausea and vomiting, compounds of imidazole GLAXO GROUP LIMITED (GB) 1992-01-28 US disclosed
US-5019586-A 5-Hydroxytryptamine Receptor Antagonists GLAXO GROUP LIMITED 1991-05-28 US disclosed
US-4918080-A ANXIOLYTIC AGENTS, ANTIEMETICS GLAXO GROUP LIMITED (GB) 1990-04-17 US disclosed
US-4873259-A Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-10-10 US disclosed
EP-0291172-A1 Ketone derivatives GLAXO GROUP LIMITED (GB) 1988-11-17 EP disclosed
EP-0279263-A2 Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-08-24 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-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA MCL1 2807/4885SLC9A1 269/4885MAPT 280/4885
US-20230364053-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF PROSTATE CANCER OR BREAST CANCER AR, NR5A1, CYP17A1 MCL1 4399/4885SLC9A1 380/4885MAPT 1261/4885
US-20250120948-A1 Small Molecules G(alpha)I2 Inhibitors and Combination With Anticancer Drugs and Use Thereof GDI2, GNAI2, GNAI3 MCL1 1450/4885SLC9A1 3122/4885MAPT 4818/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA MCL1 2807/4885SLC9A1 269/4885MAPT 280/4885

“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.