SCHEMBL4882320

SCHEMBL4882320

FC(F)(F)c1ccnn1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.49
AVPR1A P37288 2/20 0.49
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
HTT P42858 1/20 0.39
SLC11A2 P49281 2/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLD1 Q13393 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35

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
SCHEMBL4886359 0.79 KDM4E (0.40) OXTRAVPR1AKDM4EHTTSMN1; SMN2
SCHEMBL4988967 0.76 KDM4E (0.56) KDM4ESMN1; SMN2POLB
SCHEMBL12075249 0.75 KDM4E (0.58) OXTRAVPR1ARAB9AKDM4EHTT
SCHEMBL4875367 0.75 HTR3E (0.38) OXTRAVPR1AKDM4EPOLB
SCHEMBL30942665 0.74 KDM4E (0.43) KDM4E
SCHEMBL8673827 0.72 RAB9A (0.44) OXTRAVPR1ARAB9AHTTSMN1; SMN2
SCHEMBL31023204 0.72 POLB (0.57) OXTRAVPR1ARAB9AKDM4EHTT
SCHEMBL9697055 0.72 RAB9A (0.44) OXTRAVPR1ARAB9AKDM4EBCHE
SCHEMBL544026 0.72 POLB (0.57) OXTRAVPR1ARAB9AKDM4EHTT
SCHEMBL1905339 0.72 KDM5A (0.50) OXTRAVPR1ARAB9APDCD1CD274

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024134517-A1 NOVEL COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2024-06-27 WO disclosed
CN-117050624-A High-pressure salt-expelling film forming agent and preparation method thereof 陕西佰亿盟能源科技有限公司 2023-11-14 CN disclosed
US-9375008-B2 Pyrazole compounds for controlling invertebrate pests BASF SE (DE) 2016-06-28 US disclosed
US-20140142111-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2014-05-22 US disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (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-20140142111-A1 Pyrazole Compounds for Controlling Invertebrate Pests NOX3, F3, F2 OXTR 2075/4885AVPR1A 1964/4885RAB9A 2590/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 OXTR 2563/4885AVPR1A 1644/4885RAB9A 3176/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 OXTR 2563/4885AVPR1A 1644/4885RAB9A 3176/4885

“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.