SCHEMBL2117843

SCHEMBL2117843

Nc1cc(C(F)F)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.47
NOS2 P35228 5/20 0.47
NOS1 P29475 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CBLB Q13191 1/20 0.44
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 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
SCHEMBL30101542 1.00 NOS3 (0.47) NOS3NOS2NOS1KDM4EMEN1
Hydrochloric Acid SCHEMBL31600990 0.98 NOS3 (0.45) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL22838450 0.87 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL84401 0.82 NOS3 (0.52) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL4322612 0.80 NOS3 (0.50) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL514592 0.78 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL13391128 0.78 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
Hydrochloric Acid SCHEMBL30953518 0.78 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL19077800 0.78 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL12204679 0.78 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458067-A1 TREATMENT OF NEUROLOGICAL DISORDERS PIQUR Therapeutics AG (CH) 2019-03-27 EP claimed
EP-3458035-A1 TREATMENT OF SKIN LESIONS PIQUR Therapeutics AG (CH) 2019-03-27 EP claimed
WO-2017198346-A1 TREATMENT OF NEUROLOGICAL DISORDERS PIQUR THERAPEUTICS AG (CH) 2017-11-23 WO claimed
WO-2017198347-A1 TREATMENT OF SKIN LESIONS PIQUR THERAPEUTICS AG (CH) 2017-11-23 WO claimed
US-12497407-B2 Treatment of skin disorders TORQUR AG (CH) 2025-12-16 US disclosed
US-20250361241-A1 HPK1 INHIBITOR AND MEDICAL USE THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2025-11-27 US disclosed
EP-4634184-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY Crossfire Oncology Holding B.V. (NL) 2025-10-22 EP disclosed
WO-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 WO disclosed
EP-4538274-A1 HPK1 INHIBITOR AND MEDICAL USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2025-04-16 EP disclosed
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2025-03-06 US disclosed
US-20250034171-A1 IMIDAZOPYRIDINE AMIDES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2025-01-30 US disclosed
CN-119039290-A P2X3 modulators 葛兰素史密斯克莱知识产权(第3号)有限公司 2024-11-29 CN disclosed
CN-103153963-A Cyclopropane compounds EISAI R&D MAN CO LTD 2013-06-12 CN disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 WO disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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-20250361241-A1 HPK1 INHIBITOR AND MEDICAL USE THEREOF STK11, STK35, STK10 NOS3 3916/4885NOS2 4366/4885NOS1 3950/4885
US-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 NOS3 1630/4885NOS2 1763/4885NOS1 1543/4885
US-12497407-B2 Treatment of skin disorders RXFP3, CCR3, CBR3 NOS3 340/4885NOS2 1357/4885NOS1 1639/4885
US-20250034171-A1 IMIDAZOPYRIDINE AMIDES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS TPMT, QDPR, BRD4 NOS3 1709/4885NOS2 913/4885NOS1 1671/4885
US-20250074911-A1 MACROCYCLIC BTK INHIBITORS BTK, LYN, LCK NOS3 3743/4885NOS2 4056/4885NOS1 4109/4885

“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.