SCHEMBL417691

SCHEMBL417691

Cc1cccc(N2CCN(C(=O)OC(C)(C)C)CC2)c1N(C)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 6/20 0.39
GAA P10253 3/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
PRMT5 O14744 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
BACE1 P56817 1/20 0.36
HTR7 P34969 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36

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
SCHEMBL417690 0.83 SMN1; SMN2 (0.39) MAPTALDH1A1SMN1; SMN2GAANPC1
SCHEMBL417266 0.76 SMN1; SMN2 (0.49) MAPTALDH1A1SMN1; SMN2GAANPC1
SCHEMBL417689 0.76 ACHE (0.39) MAPTALDH1A1SMN1; SMN2GAANPC1
SCHEMBL418901 0.70 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2GAANPC1
SCHEMBL25003007 0.70 MAPT (0.72) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3436307 0.70 AKR1C3 (0.57) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL416241 0.69 ALDH1A1 (0.50) ALDH1A1GAANPC1RAB9ALMNA
SCHEMBL417265 0.69 SMN1; SMN2 (0.47) MAPTALDH1A1SMN1; SMN2GAANPC1
SCHEMBL417694 0.69 PDK4 (0.47)
SCHEMBL21995750 0.68 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2GAALMNA

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 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 MAPT 3216/4885ALDH1A1 455/4885SMN1; 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.