SCHEMBL417568

SCHEMBL417568

CN(Cc1cccnc1)C(=O)CCCSc1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
LMNA P02545 1/20 0.45
DNMT3B Q9UBC3 1/20 0.43
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
NAMPT P43490 1/20 0.40
PDK1 Q15118 5/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GRM5 P41594 1/20 0.39
PYGL P06737 1/20 0.39
CLK1 P49759 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL2485825 0.97 LMNA (0.47) RIPK1LMNADNMT3BHTTKMT2A
SCHEMBL2482403 0.89 PDK1 (0.46) LMNAHTTKMT2ASMN1; SMN2PDK1
SCHEMBL418243 0.88 RIPK1 (0.49) RIPK1LMNADNMT3BHTTKMT2A
SCHEMBL418540 0.87 NPC1 (0.55) KMT2ASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2487605 0.82 PDK1 (0.42) LMNAHTTKMT2APDK1PKM
SCHEMBL2484074 0.82 LMNA (0.47) RIPK1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL416236 0.81 CLK1 (0.49) RIPK1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL2485786 0.79 ALDH1A1 (0.45) RIPK1LMNADNMT3BHTTKMT2A
SCHEMBL10247697 0.75 NPC1 (0.66) RIPK1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL417567 0.75 ALDH1A1 (0.47) LMNAKMT2AALDH1A1NPC1

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 3529/4885DNMT3B 2808/4885

“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.