SCHEMBL3776920

SCHEMBL3776920

O=C(CSc1ccccc1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
ALDH1A1 P00352 8/20 0.55
KMT2A Q03164 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 2/20 0.55
HTT P42858 2/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 3/20 0.53
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
FKBP1A P62942 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL1795382 0.98 FFAR1 (0.57) FFAR1ALDH1A1KMT2ANPSR1POLB
SCHEMBL3782643 0.82 SIGMAR1 (0.49) FFAR1ALDH1A1KMT2ANPSR1POLB
SCHEMBL1561385 0.75 ALDH1A1 (0.63) ALDH1A1KMT2ANPSR1POLBNPC1
SCHEMBL9389953 0.75 ALDH1A1 (0.63) ALDH1A1KMT2ANPSR1POLBNPC1
SCHEMBL30966332 0.74 ALDH1A1 (0.68) ALDH1A1KMT2ANPSR1POLBNPC1
SCHEMBL74365 0.74 FFAR1 (1.00) FFAR1ALDH1A1KMT2APOLBNPC1
SCHEMBL9179407 0.74 FFAR1 (0.74) FFAR1ALDH1A1KMT2APOLBNPC1
SCHEMBL5992200 0.73 NPC1 (0.65) FFAR1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL10150422 0.73 FFAR1 (0.53) FFAR1ALDH1A1KMT2ANPSR1NPC1
SCHEMBL22170060 0.73 ALDH1A1 (0.65) ALDH1A1KMT2ANPSR1POLBNPC1

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-8221903-B2 Materials for N-type doping of the electron transporting layers in organic electronic devices OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2012-07-17 US disclosed
US-7858724-B2 Polymeric, phosphorescent, organically semi-conductive emitter materials based on perarylated boranes, method for their production and use thereof OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2010-12-28 US disclosed
US-20080297035-A1 Novel Materials for N-Type Doping of the Electron Transporting Layers in Organic Electronic Devices DOLYA HOLDCO 5 LIMITED (IE) 2008-12-04 US disclosed
US-20070191587-A1 Polymeric, phosphorescent, organically semi-conductive emitter materials based on perarylated boranes, method for their production and use thereof OSRAM OLED GMBH (DE) 2007-08-16 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-20080297035-A1 Novel Materials for N-Type Doping of the Electron Transporting Layers in Organic Electronic Devices SLCO4C1, SLCO1A2, SLCO2A1 FFAR1 4481/4885ALDH1A1 2647/4885KMT2A 2801/4885

“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.