SCHEMBL4574091

SCHEMBL4574091

[CH2]NCc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HPGD P15428 1/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MPO P05164 1/20 0.47
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
PLA2G1B P04054 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
CYP2A13 Q16696 1/20 0.46
KDM4E B2RXH2 1/20 0.45
IDO1 P14902 1/20 0.45

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
SCHEMBL6071681 0.80 MPO (0.60) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL11195911 0.76 LMNA (0.55) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL18901361 0.76 LMNA (0.55) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL597128 0.76 LMNA (0.55) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL30383094 0.76 LMNA (0.55) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL6819 0.76 TAAR1 (0.63) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL6896647 0.76 LMNA (0.55) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL540771 0.76 LMNA (0.55) LMNAKMT2AMEN1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL4886061 0.74 LMNA (0.53) LMNAKMT2AMEN1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL5074839 0.74 LMNA (0.53) LMNAKMT2AMEN1L3MBTL1ALDH1A1

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
US-10744127-B2 MDR-reversing 8-hydroxy-quinoline derivatives MAGYAR TUDOMÁNYOS AKADÉMIA TERMÉSZETTUDOMÁNYI KUTATÓKÖZPONT (HU) 2020-08-18 US claimed
US-20190151306-A1 MDR-REVERSING 8-HYDROXY-QUINOLINE DERIVATIVES MAGYAR TUDOMÁNYOS AKADÉMIA TERMÉSZETTUDOMÁNYI KUTATÓKÖZPONT (HU) 2019-05-23 US claimed
EP-3440070-A2 MDR-REVERSING 8-HYDROXY-QUINOLINE DERIVATIVES Magyar Tudományos Akadémia Természettudományi Kutatóközpont (HU) 2019-02-13 EP claimed
WO-2017175018-A2 MDR-REVERSING 8-HYDROXY-QUINOLINE DERIVATIVES MAGYAR TUDOMÁNYOS AKADÉMIA TERMÉSZETTUDOMÁNYI KUTATÓKÖZPONT (HU) 2017-10-12 WO claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
EP-3440070-A2 MDR-REVERSING 8-HYDROXY-QUINOLINE DERIVATIVES Magyar Tudományos Akadémia Természettudományi Kutatóközpont (HU) 2019-02-13 EP disclosed
WO-2017175018-A2 MDR-REVERSING 8-HYDROXY-QUINOLINE DERIVATIVES MAGYAR TUDOMÁNYOS AKADÉMIA TERMÉSZETTUDOMÁNYI KUTATÓKÖZPONT (HU) 2017-10-12 WO disclosed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO 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-20190151306-A1 MDR-REVERSING 8-HYDROXY-QUINOLINE DERIVATIVES ABCC1, ABCB1, ABCC8 LMNA 2388/4885KMT2A 800/4885MEN1 3784/4885
US-10744127-B2 MDR-reversing 8-hydroxy-quinoline derivatives ABCC1, ABCB1, ABCC8 LMNA 2388/4885KMT2A 800/4885MEN1 3784/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ LMNA 3515/4885KMT2A 4390/4885MEN1 4836/4885

“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.