SCHEMBL11510871

SCHEMBL11510871

Fc1cc(F)cc(NCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PPARA Q07869 3/20 0.51
GPR68 Q15743 1/20 0.50
KCNH3 Q9ULD8 2/20 0.49
PTPN1 P18031 2/20 0.47
PTPRZ1 P23471 1/20 0.47
PTPN11 Q06124 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
SLC2A1 P11166 1/20 0.46
HPGD P15428 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL30691783 0.87 HTT (0.58) HTTLMNAGAAL3MBTL1PPARA
SCHEMBL20804371 0.84 HTT (0.61) HTTL3MBTL1KCNH3PTPN1PTPRZ1
SCHEMBL11015099 0.84 HPGD (0.63) LMNAGAAL3MBTL1PPARASMN1; SMN2
SCHEMBL26980175 0.83 L3MBTL1 (0.49) HTTLMNAL3MBTL1KCNH3MAPT
Hydrochloric Acid SCHEMBL27774106 0.82 HPGD (0.61) LMNAGAAL3MBTL1PPARAKCNH3
SCHEMBL4241915 0.81 HTT (0.64) HTTLMNAGAAL3MBTL1KCNH3
SCHEMBL11935972 0.80 PPARA (0.49) HTTPPARAGPR68KCNH3HPGD
SCHEMBL6772345 0.80 KCNH2 (0.56) HTTLMNAGAAL3MBTL1KCNH3
SCHEMBL8447034 0.80 NOS2 (0.47) HTTMAPTHPGDALDH1A1CYP1A2
SCHEMBL13513332 0.77 HDAC4 (0.53) LMNAPPARAALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108314624-B Preparation method of polyfluoroaniline 东莞东阳光科研发有限公司 2022-09-27 CN disclosed
EP-3414216-B1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2020-10-21 EP disclosed
EP-3414216-B1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2020-10-21 EP disclosed
US-20190040028-A1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2019-02-07 US disclosed
US-20190040028-A1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2019-02-07 US disclosed
CN-109071374-A The arylation of fatty amine AAA化学公司 2018-12-21 CN disclosed
EP-3414216-A1 ARYLATION OF ALIPHATIC AMINES AAA Chemistry ApS (DK) 2018-12-19 EP disclosed
CN-108314624-A A kind of preparation method of polyfluoro aniline 东莞东阳光科研发有限公司 2018-07-24 CN disclosed
WO-2017137047-A1 ARYLATION OF ALIPHATIC AMINES AAA CHEMISTRY APS (DK) 2017-08-17 WO disclosed
US-4152452-A N-BENZYLANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1979-05-01 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 (1 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-20190040028-A1 ARYLATION OF ALIPHATIC AMINES NAT1, AHR, ABL1 HTT 734/4885LMNA 2612/4885GAA 2227/4885

“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.