SCHEMBL5232192

SCHEMBL5232192

S=C(Nc1cccc(OCc2ccccc2)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.61
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
RAB9A P51151 2/20 0.60
MAOB P27338 1/20 0.57
NR4A2 P43354 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMPD1 P17405 1/20 0.55
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
FFAR1 O14842 1/20 0.54
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
PTPN1 P18031 1/20 0.52

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
SCHEMBL3424427 0.84 KMT2A (0.58) NR1H4MEN1KMT2ARAB9AMAOB
SCHEMBL7006883 0.84 MEN1 (0.72) MEN1KMT2ARAB9ACYP1A2CYP2C19
SCHEMBL11550139 0.83 NR1H4 (0.81) NR1H4MEN1KMT2ARAB9AMAOB
SCHEMBL4981980 0.81 NR1H4 (0.58) NR1H4MEN1KMT2ARAB9AMAOB
SCHEMBL5249717 0.81 NR1H4 (0.65) NR1H4MEN1KMT2ARAB9AMAOB
SCHEMBL6098127 0.80 CTSV (0.65) MEN1KMT2ARAB9AMAOBNR4A2
SCHEMBL28390021 0.79 MEN1 (0.71) NR1H4MEN1KMT2ARAB9AMAOB
SCHEMBL6577711 0.79 RAB9A (0.69) MEN1KMT2ARAB9ACYP1A2CYP2C19
SCHEMBL14228670 0.79 KMT2A (0.57) NR1H4MEN1KMT2ARAB9AMAOB
SCHEMBL9586282 0.79 NR4A2 (0.71) NR1H4MEN1KMT2ARAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339701-B1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-02-14 EP disclosed
US-6849632-B2 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. (US) 2005-02-01 US disclosed
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ZABLOCKI JEFF (US) 2004-09-30 US disclosed
US-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. 2004-02-12 US disclosed
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. 2003-11-20 US disclosed
US-6573264-B1 Protecting skeletal muscles against damage, treating shock conditions, preserving donor tissue and organs used in transplants, treating cardiovascular diseases CV THERAPEUTICS, INC. 2003-06-03 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-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CPT1B, CPT1A, ALOX15 NR1H4 1076/4885MEN1 4851/4885KMT2A 3849/4885
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 NR1H4 2605/4885MEN1 4701/4885KMT2A 3805/4885
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 NR1H4 2605/4885MEN1 4701/4885KMT2A 3805/4885

“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.