SCHEMBL114191

SCHEMBL114191

Cc1ncc(C(=O)O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.47
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DDO Q99489 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
MGAM O43451 1/20 0.42
P4HA1 P13674 2/20 0.41
P4HTM Q9NXG6 2/20 0.41
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
TPMT P51580 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL17785057 0.98 HCAR2 (0.46) HCAR2KDM4EALDH1A1LMNAMEN1
SCHEMBL26337535 0.82 LMNA (0.42) LMNAVNN1
SCHEMBL114553 0.79 ATM (0.51) KDM4EALDH1A1LMNAMAPK1CYP2C9
SCHEMBL3545678 0.79 MAPT (0.42) ALDH1A1LMNAMEN1KMT2AHSD17B10
SCHEMBL30574354 0.79 ATM (0.51) KDM4EALDH1A1LMNAMAPK1CYP2C9
SCHEMBL23167635 0.79 HDAC6 (0.59)
SCHEMBL30721127 0.79 HCAR2 (0.50) HCAR2KDM4EALDH1A1LMNAMEN1
SCHEMBL898595 0.79 HCAR2 (0.50) HCAR2KDM4EALDH1A1LMNAMEN1
SCHEMBL846024 0.79 HCAR2 (0.50) HCAR2KDM4EALDH1A1LMNAMEN1
SCHEMBL16215530 0.78 ABL1 (0.35) ALDH1A1CYP2C9CYP2C19TDP1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250236608-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2025-07-24 US disclosed
CN-119451678-A Inhibition of histone deacetylase 6 (HDAC 6) 艾科尼佐治疗股份有限公司 2025-02-14 CN disclosed
CN-119212707-A Oxadiazole HDAC6 inhibitors and uses thereof 艾科尼佐治疗股份有限公司 2024-12-27 CN disclosed
US-20240279215-A1 NAMPT MODULATORS CYTOKINETICS, INCORPORATED 2024-08-22 US disclosed
EP-3632910-B1 3,4-DIHYDROQUINOLINONES AS FXR RECEPTOR AGONISTS CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2024-07-17 EP disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-11339147-B2 Lactam compound as FXR receptor agonist CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-05-24 US disclosed
CN-109134476-B Bridged ring piperazine derivative or salt thereof, and preparation method and application thereof 复旦大学 2021-03-19 CN disclosed
US-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-11-19 US disclosed
US-10829486-B2 Isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACUETICALS, INC. (US) 2020-11-10 US disclosed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 US disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 US disclosed
CN-101277932-A Aryl-substituted nitrogen-containing heterocyclic compound BANYU PHARMA CO LTD (JP) 2008-10-01 CN disclosed
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 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 (8 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-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 HCAR2 49/4885KDM4E 4637/4885ALDH1A1 1623/4885
US-20240279215-A1 NAMPT MODULATORS NAMPT, SIRT1, NNT HCAR2 667/4885KDM4E 1782/4885ALDH1A1 758/4885
US-11339147-B2 Lactam compound as FXR receptor agonist NR1H4, GPBAR1, SLC10A1 HCAR2 169/4885KDM4E 4512/4885ALDH1A1 2853/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 HCAR2 279/4885KDM4E 1496/4885ALDH1A1 3140/4885
US-10829486-B2 Isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, SLC10A1, FXR1 HCAR2 87/4885KDM4E 4486/4885ALDH1A1 1095/4885
US-20250236608-A1 EGFR INHIBITORS EGFR, ERBB2, ERBB3 HCAR2 4185/4885KDM4E 3399/4885ALDH1A1 2147/4885
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 HCAR2 139/4885KDM4E 3738/4885ALDH1A1 1720/4885
US-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, SLC10A2 HCAR2 92/4885KDM4E 3975/4885ALDH1A1 882/4885

“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.