SCHEMBL3456310

SCHEMBL3456310

O=C(O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
MAPT P10636 6/20 0.70
NPSR1 Q6W5P4 2/20 0.70
ALDH1A1 P00352 5/20 0.68
KDM4E B2RXH2 5/20 0.67
PTGS2 P35354 1/20 0.66
CACNA1B Q00975 1/20 0.65
APBA1 Q02410 1/20 0.65
RAB9A P51151 1/20 0.65
GAA P10253 2/20 0.61
HDAC1 Q13547 4/20 0.61
HDAC2 Q92769 4/20 0.61
HPGD P15428 1/20 0.61
POLB P06746 2/20 0.59
GLA P06280 1/20 0.59
RECQL P46063 1/20 0.59
ATM Q13315 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL3456311 1.00 MEN1 (1.00) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL28548697 0.91 MEN1 (0.82) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL30173920 0.88 MEN1 (0.79) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL30173806 0.88 MEN1 (0.79) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL28551638 0.88 MEN1 (0.79) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL28546977 0.88 MEN1 (0.79) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL28555356 0.87 MEN1 (0.77) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL28552501 0.87 MEN1 (0.77) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL30173875 0.87 MEN1 (0.77) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL28358398 0.86 MEN1 (0.74) MEN1KMT2AMAPTNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112679470-B (E) -1-phenyl-4-alkenyl-1H-pyrazole compound and medical application thereof 中国药科大学(CN) 2023-01-13 CN disclosed
CN-112679470-A (E) -1-phenyl-4-alkenyl-1H-pyrazole compound and medical application thereof 中国药科大学 2021-04-20 CN disclosed
US-20100179203-A1 NOVEL PYRAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-07-15 US disclosed
EP-2176228-A1 NOVEL PYRAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-04-21 EP disclosed
WO-2009003921-A1 NOVEL PYRAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-01-08 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 (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-20100179203-A1 NOVEL PYRAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNN3, KCNJ2, KCNK3 MEN1 3396/4885KMT2A 1537/4885MAPT 2074/4885

“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.