SCHEMBL9232107

SCHEMBL9232107

CNc1cccc(C)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
ACHE P22303 2/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5514195 0.85 MAPT (0.44) HTTKDM4CMAPTALDH1A1HPGD
SCHEMBL8113548 0.79 HTT (0.43) HTTKDM4CACHEMAPTALDH1A1
SCHEMBL27773591 0.79 HTT (0.39) HTTKDM4CACHEMAPTALDH1A1
SCHEMBL3653664 0.79 HTT (0.39) HTTKDM4CACHEMAPTALDH1A1
SCHEMBL19198928 0.78 HTT (0.33) HTTMAPTALDH1A1HPGDTDP1
SCHEMBL1547937 0.78 MAPT (0.39) ACHEMAPTALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL18172080 0.77 ALDH1A1 (0.41) HTTKDM4CACHEMAPTALDH1A1
SCHEMBL130382 0.76
SCHEMBL25928784 0.76 HTT (0.37) HTTKDM4CACHEMAPTALDH1A1
SCHEMBL1548708 0.75 KEAP1 (0.54) HTTMAPTALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640140-A Polycyclic-carbamoyl pyridone compounds and pharmaceutical uses thereof 吉利德科学公司 2023-08-25 CN disclosed
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-25 US disclosed
CN-111303152-B Polycyclic-carbamoylpyridone compounds and their pharmaceutical use 吉利德科学公司 2023-04-11 CN disclosed
EP-3643709-B1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS LTD (CN) 2021-10-20 EP disclosed
CN-111303152-A Polycyclic-carbamoylpyridone compounds and their pharmaceutical use 吉利德科学公司 2020-06-19 CN disclosed
EP-3643709-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Kangpu Biopharmaceuticals, Ltd. (CN) 2020-04-29 EP disclosed
CN-107674086-B Polycyclic-carbamoylpyridone compounds and their pharmaceutical use 吉利德科学公司 2020-03-31 CN disclosed
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2017-11-02 US disclosed
EP-3214081-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Kangpu Biopharmaceuticals, Ltd. (CN) 2017-09-06 EP disclosed
EP-3205642-A2 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD Mitsui Chemicals Agro, Inc. (JP) 2017-08-16 EP disclosed
US-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-10-22 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 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 (5 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-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND ARG1, H1-0, TYR HTT 862/4885KDM4C 717/4885ACHE 1937/4885
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 HTT 727/4885KDM4C 4525/4885ACHE 3751/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A HTT 1131/4885KDM4C 2849/4885ACHE 235/4885
US-20170313676-A1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF IL2, IL1B, IL5 HTT 1981/4885KDM4C 4012/4885ACHE 409/4885
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 HTT 3508/4885KDM4C 2949/4885ACHE 2364/4885

“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.