SCHEMBL18905754

SCHEMBL18905754

Cc1cc2c(cc1C)N(c1cccc(-c3ccccc3)c1)C(=C1N(c3cccc(-c4ccccc4)c3)c3cc(C)c(C)cc3N1c1cccc(-c3ccccc3)c1)N2c1cccc(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
FAAH O00519 1/20 0.51
HSP90AA1 P07900 1/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
MGLL Q99685 1/20 0.51
HTR7 P34969 2/20 0.41
HTR1A P08908 1/20 0.41
COMT P21964 5/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.38
TYMS P04818 1/20 0.37
DHFR P00374 1/20 0.37
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL18905741 0.85 FAAH (0.46) ALDH1A1FAAHMGLLNPC1RAB9A
SCHEMBL17383518 0.85 NPC1 (0.45) ALDH1A1MGLLNPC1RAB9AMAPT
SCHEMBL19343001 0.83 ESR1 (0.42) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL18905756 0.81 NPC1 (0.42) ALDH1A1HTTMGLLNPC1RAB9A
SCHEMBL18905751 0.79 HSP90AA1 (0.53) ALDH1A1HSP90AA1MGLLMAPTUSP2
SCHEMBL18905678 0.78 ALDH1A1 (0.47) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL18911788 0.77 HTR7 (0.44) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL15957966 0.77 ALDH1A1 (0.42) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL18905755 0.76 ALDH1A1 (0.39) ALDH1A1HSP90AA1HTTMGLLNPC1
SCHEMBL20062919 0.76 KMT2A (0.45) ALDH1A1PKMATMNPC1RAB9A

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-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed
US-9882148-B2 Organic compound, field element, organic light-emitting element, display apparatus, image information-processing apparatus, lighting apparatus, image-forming apparatus, and exposure apparatus CANON KABUSHIKI KAISHA (JP) 2018-01-30 US disclosed
US-20170155059-A1 ORGANIC COMPOUND, FIELD ELEMENT, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE INFORMATION-PROCESSING APPARATUS, LIGHTING APPARATUS, IMAGE-FORMING APPARATUS, AND EXPOSURE APPARATUS CANON KABUSHIKI KAISHA (JP) 2017-06-01 US disclosed
US-20170155059-A1 ORGANIC COMPOUND, FIELD ELEMENT, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE INFORMATION-PROCESSING APPARATUS, LIGHTING APPARATUS, IMAGE-FORMING APPARATUS, AND EXPOSURE APPARATUS CANON KABUSHIKI KAISHA (JP) 2017-06-01 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-20170155059-A1 ORGANIC COMPOUND, FIELD ELEMENT, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE INFORMATION-PROCESSING APPARATUS, LIGHTING APPARATUS, IMAGE-FORMING APPARATUS, AND EXPOSURE APPARATUS SCO2, OGFOD1, OXER1 ALDH1A1 460/4885FAAH 2890/4885HSP90AA1 3786/4885

“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.