SCHEMBL342149

SCHEMBL342149

CCCCCCCC/N=C/c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
NR4A1 P22736 1/20 0.46
MAOA P21397 2/20 0.45
TOP2A P11388 2/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
USP2 O75604 2/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
HSP90AA1 P07900 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
G6PC1 P35575 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL10321703 1.00 CYP1A2 (0.56) CYP1A2CYP2C19NR4A1MAOATOP2A
SCHEMBL16353929 1.00 CYP1A2 (0.56) CYP1A2CYP2C19NR4A1MAOATOP2A
SCHEMBL10321597 1.00 CYP1A2 (0.56) CYP1A2CYP2C19NR4A1MAOATOP2A
SCHEMBL27112153 1.00 CYP1A2 (0.56) CYP1A2CYP2C19NR4A1MAOATOP2A
SCHEMBL16353859 1.00 CYP1A2 (0.56) CYP1A2CYP2C19NR4A1MAOATOP2A
SCHEMBL10321022 1.00 CYP1A2 (0.56) CYP1A2CYP2C19NR4A1MAOATOP2A
SCHEMBL139351 1.00 CYP1A2 (0.56) CYP1A2CYP2C19NR4A1MAOATOP2A
SCHEMBL16353930 1.00 CYP1A2 (0.56) CYP1A2CYP2C19NR4A1MAOATOP2A
SCHEMBL10320909 1.00 CYP1A2 (0.56) CYP1A2CYP2C19NR4A1MAOATOP2A
SCHEMBL832504 0.98 CYP1A2 (0.53) CYP1A2CYP2C19NR4A1MAOATOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095623-B2 Terminally-functionalized conjugates and uses thereof SMARTCELLS, INC. (US) 2015-08-04 US disclosed
US-9095623-B2 Terminally-functionalized conjugates and uses thereof SMARTCELLS, INC. (US) 2015-08-04 US disclosed
US-20140121159-A1 TERMINALLY–FUNCTIONALIZED CONJUGATES AND USES THEREOF SMARTCELLS, INC. (US) 2014-05-01 US disclosed
US-20140121159-A1 TERMINALLY–FUNCTIONALIZED CONJUGATES AND USES THEREOF SMARTCELLS, INC. (US) 2014-05-01 US disclosed
US-8623345-B2 Terminally-functionalized conjugates and uses thereof Smartcells (US) 2014-01-07 US disclosed
US-8623345-B2 Terminally-functionalized conjugates and uses thereof Smartcells (US) 2014-01-07 US disclosed
US-8268908-B2 Pigment dispersion liquid, inkjet recording ink, inkjet recording method, ink cartridge and inkjet recording apparatus CANON FINETECH INC. (JP) 2012-09-18 US disclosed
US-20120014908-A1 TERMINALLY-FUNCTIONALIZED CONJUGATES AND USES THEREOF SMARTCELLS, INC. 2012-01-19 US disclosed
US-20120014908-A1 TERMINALLY-FUNCTIONALIZED CONJUGATES AND USES THEREOF SMARTCELLS, INC. 2012-01-19 US disclosed
US-7825199-B1 mediated by transition metal complex in redox reaction of atom transfer Atom Transfer Coupling Reaction to/from initiator or dormant polymer and growing active polymer chain ends; transition metal held in close conjunction with a solid support; salt containing a soluble organic counterion; styrene graft CARNEGIE MELLON UNIVERSITY (US) 2010-11-02 US disclosed
WO-2010107519-A1 TERMINALLY-FUNCTIONALIZED CONJUGATES AND USES THEREOF SMARTCELLS, INC. (US) 2010-09-23 WO disclosed
US-20100021635-A1 PIGMENT DISPERSION LIQUID, INKJET RECORDING INK, INKJET RECORDING METHOD, INK CARTRIDGE AND INKJET RECORDING APPARATUS CANON FINETECH INC. (JP) 2010-01-28 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 (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-20140121159-A1 TERMINALLY–FUNCTIONALIZED CONJUGATES AND USES THEREOF NPY1R, NTSR1, GRPR CYP1A2 2345/4885CYP2C19 1668/4885NR4A1 1622/4885
US-20120014908-A1 TERMINALLY-FUNCTIONALIZED CONJUGATES AND USES THEREOF NPY1R, NTSR1, GRPR CYP1A2 2107/4885CYP2C19 1490/4885NR4A1 1584/4885

“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.