SCHEMBL514804

SCHEMBL514804

CNCc1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SCN8A Q9UQD0 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ATM Q13315 1/20 0.46
EPHX2 P34913 2/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
HTT P42858 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.44
CARM1 Q86X55 1/20 0.43

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
Hydrochloric Acid SCHEMBL25377091 0.98 IDO1 (0.52) IDO1SLC6A2SLC6A4SLC6A3SCN8A
SCHEMBL13436118 0.83 SCN8A (0.54) IDO1SCN8AALDH1A1KDM4EATM
SCHEMBL13883998 0.82 P2RX7 (0.46) IDO1SLC6A2SLC6A4SLC6A3SCN8A
Hydrochloric Acid SCHEMBL4024365 0.81 SLC6A4 (0.42) IDO1SLC6A2SLC6A4SLC6A3SCN8A
SCHEMBL21679846 0.81 IDO1 (0.52) IDO1SCN8AALDH1A1KDM4EATM
SCHEMBL685489 0.81 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL13002486 0.80 IDO1 (0.52) IDO1SCN8AALDH1A1KDM4EATM
SCHEMBL12153073 0.80 SCN8A (0.52) IDO1SCN8AALDH1A1KDM4EATM
SCHEMBL13840655 0.80 TAAR1 (0.58) IDO1SCN8AALDH1A1KDM4EATM
Hydrochloric Acid SCHEMBL5705700 0.80 P2RX7 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
US-20250100993-A1 2-SUBSTITUTED THIAZOLE HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2025-03-27 US disclosed
EP-4469451-A1 2-SUBSTITUTED THIAZOLE HSD17B13 INHIBITORS AND USES THEREOF Inipharm, Inc. (US) 2024-12-04 EP disclosed
CN-119032090-A 2-Substituted thiazole HSD17B13 inhibitors and uses thereof 伊尼制药公司 2024-11-26 CN disclosed
EP-4139308-B1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-07-17 EP disclosed
EP-3568390-B1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2024-03-06 EP disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-02-15 US disclosed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 US disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed
CN-1376155-A Thiourea and isothiourea derivatives for inhibiting RAS-transformed cell growth YUHAN CORP (KR) 2002-10-23 CN 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 (6 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R IDO1 481/4885SLC6A2 3349/4885SLC6A4 2513/4885
US-20250100993-A1 2-SUBSTITUTED THIAZOLE HSD17B13 INHIBITORS AND USES THEREOF HSD17B1, HSD17B3, HSD17B13 IDO1 2493/4885SLC6A2 2876/4885SLC6A4 2548/4885
US-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX IDO1 16/4885SLC6A2 3318/4885SLC6A4 2486/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT IDO1 3280/4885SLC6A2 1160/4885SLC6A4 2479/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 IDO1 150/4885SLC6A2 2841/4885SLC6A4 3057/4885
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection CX3CR1, CCL5, CCRL2 IDO1 490/4885SLC6A2 3228/4885SLC6A4 2125/4885

“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.