SCHEMBL135603

SCHEMBL135603

C=C(c1ccncc1)c1ccc(C(=C)c2ccncc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HTT P42858 1/20 0.52
GFER P55789 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
NAPRT Q6XQN6 1/20 0.48
LMNA P02545 2/20 0.44
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MPO P05164 1/20 0.41

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
SCHEMBL491764 0.97 NAPRT (0.50) MAPTHSD17B10HTTGFERGPR55
SCHEMBL28057363 0.90 MAPT (0.52) MAPTHSD17B10HTTGFERGPR55
SCHEMBL13884469 0.88 MAPT (0.52) MAPTHSD17B10HTTGFERGPR55
SCHEMBL6246649 0.87 KMT2A (0.60) MAPTHSD17B10HTTGFERGPR55
SCHEMBL28158934 0.86 NPC1 (0.42) MAPTHSD17B10HTTGFERGPR55
SCHEMBL5237011 0.83 NAPRT (0.39) MAPTHSD17B10HTTGFERGPR55
SCHEMBL859852 0.82 HDAC8 (0.58) MAPTHSD17B10HTTGFERGPR55
SCHEMBL3163567 0.79 NPC1 (0.53) MAPTHSD17B10ALDH1A1MEN1KMT2A
Pyrazine SCHEMBL27427242 0.78 MEN1 (0.50) MAPTHSD17B10HTTGFERGPR55
SCHEMBL9208657 0.78 LTA4H (0.52) MAPTLMNALTA4HKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433131-B1 Particles for long wavelength SERS, method of manufacture and method for tagging a material SICPA HOLDING SA (CH) 2016-07-06 EP disclosed
US-9239327-B2 Particles comprising hollow surface-enhanced spectroscopy (SES)-active core for long wavelength SERS SICPA HOLDING SA (CH) 2016-01-19 US disclosed
US-20140194605-A1 SERS Reporter Molecules and Methods CABOT SECURITY MATERIALS, INC. (US) 2014-07-10 US disclosed
US-20120156491-A1 SERS Reporter Molecules and Methods CABOT SECURITY MATERIALS INC. (US) 2012-06-21 US disclosed
EP-2433131-A1 PARTICLES AND METHODS FOR LONG WAVELENGTH SERS Cabot Security Materials Inc. (US) 2012-03-28 EP disclosed
US-20120057165-A1 Particles and Methods for Long Wavelength SERS CABOT SECURITY MATERIALS INC. (US) 2012-03-08 US disclosed
WO-2010135354-A1 PARTICLES AND METHODS FOR LONG WAVELENGTH SERS OXONICA MATERIALS INC. (US) 2010-11-25 WO 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 (2 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-20140194605-A1 SERS Reporter Molecules and Methods SRRT, MYCBP, SPR MAPT 2191/4885HSD17B10 1889/4885HTT 2169/4885
US-20120156491-A1 SERS Reporter Molecules and Methods SRRT, MYCBP, SPR MAPT 2191/4885HSD17B10 1889/4885HTT 2169/4885

“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.