SCHEMBL91643

SCHEMBL91643

CN(C)c1ccc2c(c1)C(=O)c1ccccc1SC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.43
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTK2B Q14289 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL86191 0.81 ELANE (0.51) AKR1B1ALDH1A1MEN1KMT2ANOTUM
SCHEMBL31510701 0.78 ACHE (0.59) AKR1B1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL31123671 0.78 ACHE (0.59) AKR1B1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL86279 0.78 ACHE (0.59) AKR1B1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13871237 0.78 NPC1 (0.51) AKR1B1ALDH1A1RAB9ANPSR1MEN1
SCHEMBL86333 0.78 AKR1B1 (0.46) AKR1B1ALDH1A1L3MBTL1CHRM2ADRA2A
SCHEMBL86330 0.78 TDP1 (0.59) AKR1B1L3MBTL1NOTUMMAPK14ACHE
SCHEMBL86282 0.78 AKR1B1 (0.46) AKR1B1L3MBTL1NOTUMMAPK14ACHE
SCHEMBL86749 0.78 MAOB (0.54) AKR1B1MEN1KMT2AL3MBTL1NOTUM
SCHEMBL91673 0.77 ALDH1A1 (0.55) AKR1B1ALDH1A1RAB9AL3MBTL1CHRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053095-B1 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2014-03-26 EP disclosed
US-8129447-B2 Ink composition and inkjet recording method using the same FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 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-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 AKR1B1 1704/4885ALDH1A1 440/4885RAB9A 974/4885

“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.