SCHEMBL19100048

SCHEMBL19100048

CN1c2ccccc2N(C)C1c1c(-c2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ PDGFRB P09619 1/20 0.41
▸ MGLL Q99685 1/20 0.39
▸ GPR3 P46089 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR5A P47898 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL19817096 0.85 ALDH1A1 (0.39) KDM4EALDH1A1MAPK1LMNAHPGD
SCHEMBL24088364 0.74 KIF11 (0.33) HPGDCASP1HSD17B10
SCHEMBL20637698 0.74 KDM4E (0.47) KDM4EPDGFRBMGLLGPR3ALDH1A1
SCHEMBL23656228 0.72 KDM4E (0.41) KDM4EMGLLGPR3ALDH1A1LMNA
SCHEMBL21972250 0.70 PDGFRB (0.46) KDM4EPDGFRBMAPK1LMNAHTT
SCHEMBL993337 0.70 PDGFRB (0.64) KDM4EPDGFRBALDH1A1LMNAGAA
SCHEMBL29403090 0.70 PDGFRB (0.64) KDM4EPDGFRBALDH1A1LMNAGAA
SCHEMBL21970634 0.69 LMNA (0.59) KDM4EPDGFRBMGLLALDH1A1LMNA
SCHEMBL21971004 0.69 PDGFRB (0.53) KDM4EPDGFRBALDH1A1MAPK1LMNA
SCHEMBL20120136 0.68 HTR1A (0.40) MGLLALDH1A1MAPK1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800874-B2 Poly(phenylene) and m-Terphenyl as protecting groups for benzimidazolium hydroxides SIMON FRASER UNIVERSITY (CA) 2020-10-13 — — US disclosed
US-10800874-B2 Poly(phenylene) and m-Terphenyl as protecting groups for benzimidazolium hydroxides SIMON FRASER UNIVERSITY (CA) 2020-10-13 — — US disclosed
US-20190016851-A1 POLY(PHENYLENE) AND M-TERPHENYL AS PROTECTING GROUPS FOR BENZIMIDAZOLIUM HYDROXIDES SIMON FRASER UNIVERSITY (CA) 2019-01-17 — — US disclosed
US-20190016851-A1 POLY(PHENYLENE) AND M-TERPHENYL AS PROTECTING GROUPS FOR BENZIMIDAZOLIUM HYDROXIDES SIMON FRASER UNIVERSITY (CA) 2019-01-17 — — US disclosed
EP-3400215-A1 POLY(PHENYLENE) AND M-TERPHENYL AS PROTECTING GROUPS FOR BENZIMIDAZOLIUM HYDROXIDES Simon Fraser University (CA) 2018-11-14 — — EP disclosed
WO-2017117678-A1 POLY(PHENYLENE) AND M-TERPHENYL AS PROTECTING GROUPS FOR BENZIMIDAZOLIUM HYDROXIDES SIMON FRASER UNIVERSITY (CA) 2017-07-13 — — 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-20190016851-A1 POLY(PHENYLENE) AND M-TERPHENYL AS PROTECTING GROUPS FOR BENZIMIDAZOLIUM HYDROXIDES H1-4, PNMT, H1-0 KDM4E 927/4885PDGFRB 4511/4885MGLL 580/4885
US-10800874-B2 Poly(phenylene) and m-Terphenyl as protecting groups for benzimidazolium hydroxides H1-4, PNMT, H1-0 KDM4E 927/4885PDGFRB 4511/4885MGLL 580/4885

“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.

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