SCHEMBL414461

SCHEMBL414461

COC(=O)c1ccc(SCCCC(=O)NCCc2ccccc2OC)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
BCHE P06276 1/20 0.49
CHRM2 P08172 1/20 0.49
ACHE P22303 1/20 0.49
ADRB2 P07550 1/20 0.48
HPGD P15428 2/20 0.47
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL414628 0.89 MEN1 (0.47) ALDH1A1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL414460 0.79 ACHE (0.51) ALDH1A1KMT2AMEN1RAB9ABCHE
SCHEMBL17117231 0.75 HPGD (0.73) MTNR1AMTNR1BBCHECHRM2ACHE
SCHEMBL14241869 0.72 MTNR1A (0.72) MTNR1AMTNR1BHPGDTAAR1
SCHEMBL10397850 0.71 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2MEN1MTNR1A
SCHEMBL2290857 0.71 BCHE (0.60) ALDH1A1KMT2ASMN1; SMN2MEN1MTNR1A
SCHEMBL414627 0.71 MEN1 (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL17056834 0.70 RAB9A (0.65) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL17056827 0.70 HDAC3 (0.60)
SCHEMBL1010724 0.69 MTNR1A (1.00) MTNR1AMTNR1BHPGDTAAR1

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
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US claimed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 ALDH1A1 455/4885KMT2A 2843/4885SMN1; SMN2 4050/4885

“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.