SCHEMBL418243

SCHEMBL418243

CN(Cc1cccnc1)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.49
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41
POLB P06746 1/20 0.41
PDK1 Q15118 2/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL2484074 0.93 LMNA (0.47) RIPK1LMNAMAPTKMT2AHTT
SCHEMBL2485786 0.89 ALDH1A1 (0.45) RIPK1LMNAMAPTKMT2AHTT
SCHEMBL416236 0.88 CLK1 (0.49) RIPK1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL417568 0.88 RIPK1 (0.46) RIPK1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL418467 0.86 NPC1 (0.59) RIPK1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2485825 0.85 LMNA (0.47) RIPK1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL2482403 0.82 PDK1 (0.46) LMNAMAPTKMT2AHTTSMN1; SMN2
SCHEMBL417283 0.80 NPC1 (0.43) LMNAMAPTKMT2ANPC1RAB9A
SCHEMBL412377 0.80 RIPK1 (0.49) RIPK1LMNAMAPTKMT2AHTT
SCHEMBL412947 0.79 FOLH1 (0.47) RIPK1LMNAMAPTKMT2ANPC1

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 4 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-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 RIPK1 3432/4885LMNA 3529/4885MAPT 3216/4885

“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.