SCHEMBL416100

SCHEMBL416100

COc1ccc2c(c1)N(C(=O)CCCSc1ccncc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 2/20 0.50
MAPT P10636 7/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
NOTUM Q6P988 2/20 0.42
HTR2C P28335 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
XIAP P98170 1/20 0.39
HTR2B P41595 1/20 0.39
IMPDH2 P12268 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
SCHEMBL415731 0.92 MAPT (0.52) BIRC2MAPTTSHRSMN1; SMN2RAB9A
SCHEMBL10283935 0.90 MAPT (0.53) BIRC2MAPTTSHRSMN1; SMN2RAB9A
SCHEMBL418827 0.83 MAPT (0.54) BIRC2MAPTTSHRSMN1; SMN2RAB9A
SCHEMBL413454 0.81 MAPT (0.50) BIRC2MAPTTSHRSMN1; SMN2RAB9A
SCHEMBL417533 0.81 MAPT (0.50) BIRC2MAPTTSHRSMN1; SMN2RAB9A
SCHEMBL416024 0.79 BIRC2 (0.55) BIRC2MAPTTSHRSMN1; SMN2RAB9A
SCHEMBL417754 0.79 MAPT (0.48) BIRC2MAPTTSHRSMN1; SMN2RAB9A
SCHEMBL418454 0.79 MAPT (0.48) BIRC2MAPTTSHRSMN1; SMN2RAB9A
SCHEMBL30911987 0.78 BIRC2 (0.54) BIRC2MAPTTSHRSMN1; SMN2RAB9A
SCHEMBL30912010 0.77 NOTUM (0.57) BIRC2MAPTTSHRSMN1; SMN2RAB9A

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 1 patent. 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

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 BIRC2 941/4885MAPT 3216/4885TSHR 4221/4885

“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.