SCHEMBL416219

SCHEMBL416219

O=C(CCCSc1ccc(O)cc1)N(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RAF1 P04049 3/20 0.40
MAP2K1 Q02750 3/20 0.40
HDAC1 Q13547 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNA5 P22460 1/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LIN28A Q9H9Z2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL418563 0.88 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL418472 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHDAC1RAB9A
SCHEMBL16346747 0.74 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL8966730 0.72 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHDAC1TRPM8
SCHEMBL417273 0.72 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHDAC1RAB9A
SCHEMBL2484074 0.72 LMNA (0.47) ALDH1A1KMT2ARAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL8966687 0.71 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHDAC1TRPM8
SCHEMBL418467 0.71 NPC1 (0.59) ALDH1A1KMT2ARAB9ANPC1HPGD
SCHEMBL9656225 0.71 DAO (0.55) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL8967342 0.71 HDAC1 (0.44) ALDH1A1MEN1KMT2AHDAC1MAPT

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 ALDH1A1 455/4885MEN1 4868/4885KMT2A 2843/4885

“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.