SCHEMBL18625

SCHEMBL18625

COc1cccc(F)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTR2A P28223 2/20 0.47
DRD2 P14416 1/20 0.47
HRH1 P35367 1/20 0.47
AR P10275 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
CYP2C9 P11712 1/20 0.43
NFE2L2 Q16236 1/20 0.43
SQOR Q9Y6N5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL4739158 0.85 RAB9A (0.59) NPC1RAB9AARLMNAMAPT
SCHEMBL30052305 0.84 NPC1 (0.46) NPC1RAB9AHTR2ADRD2HRH1
SCHEMBL8436454 0.84 NPC1 (0.46) NPC1RAB9AHTR2ADRD2HRH1
SCHEMBL22169453 0.83 POLB (0.57) NPC1RAB9AARLMNAMAPT
SCHEMBL1154627 0.83 SQOR (0.45) NPC1RAB9AHTR2ADRD2HRH1
SCHEMBL17085521 0.82 KDM4E (0.41) NPC1RAB9AHTR2ADRD2HRH1
SCHEMBL5222341 0.81 HTR2A (0.41) NPC1RAB9AHTR2ADRD2HRH1
SCHEMBL25202865 0.81 NPC1 (0.39) NPC1RAB9AHTR2ADRD2HRH1
SCHEMBL22169493 0.80 RAB9A (0.47) RAB9AARMAPTSQORL3MBTL1
SCHEMBL2960326 0.80 NFE2L2 (0.43) NPC1LMNAMAPTNFE2L2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727941-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2026-04-22 EP disclosed
US-20260062393-A1 Compounds CTXT PTY LTD (AU) 2026-03-05 US disclosed
US-12365655-B2 Compounds CTXT PTY LTD (AU) 2025-07-22 US disclosed
CN-112334466-B Compounds of formula (I) CTXT私人有限公司 2025-05-30 CN disclosed
WO-2024255885-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-12-19 WO disclosed
US-20240376073-A1 QUATERNARY AMMONIUM CATION SUBSTITUTED COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN-LA ROCHE INC. (US) 2024-11-14 US disclosed
CN-114364672-B Benzisoxazole sulfonamide derivatives 辉瑞大药厂 2024-09-06 CN disclosed
EP-4367102-A1 QUATERNARY AMMONIUM CATION SUBSTITUTED COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2024-05-15 EP disclosed
CN-117715892-A Quaternary ammonium cation substituted compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-03-15 CN disclosed
EP-4335439-A2 COMPOUNDS CTXT PTY LTD (AU) 2024-03-13 EP disclosed
EP-0583317-A1 DIBENZOTHIAZEPINTHIONE AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-23 EP disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed
US-5185027-A Salicylaldehyde derivatives and salicyclic acid derivatives and their sulfur analogs, and their use as herbicides and bioregulators BASF AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
WO-1992019607-A1 DIBENZOTHIAZEPINTHIONE AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1992-11-12 WO disclosed
WO-1992019277-A1 ANTIVIRAL DIBENZOTHIAZEPINONE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1992-11-12 WO disclosed
EP-0490224-A2 Derivatives of salicylic aldehyde and salicylic acid, sulfphuranalogs thereof, process and intermediates for their preparation BASF Aktiengesellschaft (DE) 1992-06-17 EP disclosed
US-5085686-A Plant growth regulator BASF AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
EP-0402751-A1 Derivatives of salicylic aldehyde and salicylic acid and sulphur analoges thereof, methodes for preparing them and their use as herbicides and bioregulators BASF Aktiengesellschaft (DE) 1990-12-19 EP disclosed
WO-1990001481-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1990-02-22 WO disclosed
EP-0354693-A1 Therapeutic agents The Boots Company PLC (GB) 1990-02-14 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 (3 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-20260062393-A1 Compounds SCN2B, ABCB11, SCN1B NPC1 10/4885RAB9A 233/4885HTR2A 678/4885
US-20240376073-A1 QUATERNARY AMMONIUM CATION SUBSTITUTED COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS CFTR, HRH1, HRH4 NPC1 858/4885RAB9A 1520/4885HTR2A 4455/4885
US-12365655-B2 Compounds SLC10A1, ABCB11, PCSK9 NPC1 28/4885RAB9A 419/4885HTR2A 3511/4885

“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.