SCHEMBL19198262

SCHEMBL19198262

c1ccc2cc3nc4cccnc4cc3cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.60
ALDH1A1 P00352 6/20 0.58
MAPT P10636 3/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
ACHE P22303 1/20 0.50
CYP3A4 P08684 2/20 0.48
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
PDE10A Q9Y233 1/20 0.42
CASP1 P29466 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR4A2 P43354 1/20 0.42
HTR3A P46098 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
SCHEMBL20272948 0.91 ALDH1A1 (0.54) NQO2ALDH1A1MAPTGLAHPGD
SCHEMBL9394410 0.88 ALDH1A1 (0.62) NQO2ALDH1A1MAPTGLAHPGD
SCHEMBL29524245 0.87 ALDH1A1 (0.62) NQO2ALDH1A1MAPTGLAHPGD
SCHEMBL2386458 0.87 ALDH1A1 (0.62) NQO2ALDH1A1MAPTGLAHPGD
SCHEMBL31242880 0.87 ALDH1A1 (0.62) NQO2ALDH1A1MAPTGLAHPGD
Ammonia Solution, Strong SCHEMBL27985513 0.85 ALDH1A1 (0.60) NQO2ALDH1A1MAPTGLAHPGD
SCHEMBL29066655 0.85 ALDH1A1 (0.58) NQO2ALDH1A1MAPTGLAHPGD
SCHEMBL4442752 0.85 NPC1 (0.56) NQO2ALDH1A1MAPTGLAHPGD
SCHEMBL9393783 0.83 ALDH1A1 (0.62) NQO2ALDH1A1MAPTGLAHPGD
SCHEMBL20698659 0.83 ALDH1A1 (0.62) NQO2ALDH1A1MAPTGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066351-B2 Organic compound, three-dimensional organic framework formed by using organic compound, separation sieve and optical layer, which comprise organic framework, and optical device comprising optical layer as optical amplification layer IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2021-07-20 US disclosed
US-20190031586-A1 ORGANIC COMPOUND, THREE-DIMENSIONAL ORGANIC FRAMEWORK FORMED BY USING ORGANIC COMPOUND, SEPARATION SIEVE AND OPTICAL LAYER, WHICH COMPRISE ORGANIC FRAMEWORK, AND OPTICAL DEVICE COMPRISING OPTICAL LAYER AS OPTICAL AMPLIFICATION LAYER INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2019-01-31 US disclosed
WO-2017131406-A1 ORGANIC COMPOUND, THREE-DIMENSIONAL ORGANIC FRAMEWORK FORMED BY USING ORGANIC COMPOUND, SEPARATION SIEVE AND OPTICAL LAYER, WHICH COMPRISE ORGANIC FRAMEWORK, AND OPTICAL DEVICE COMPRISING OPTICAL LAYER AS OPTICAL AMPLIFICATION LAYER 한양대학교 산학협력단 2017-08-03 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-11066351-B2 Organic compound, three-dimensional organic framework formed by using organic compound, separation sieve and optical layer, which comprise organic framework, and optical device comprising optical layer as optical amplification layer OR10J3, POF1B, ORC3 NQO2 4787/4885ALDH1A1 2899/4885MAPT 3445/4885
US-20190031586-A1 ORGANIC COMPOUND, THREE-DIMENSIONAL ORGANIC FRAMEWORK FORMED BY USING ORGANIC COMPOUND, SEPARATION SIEVE AND OPTICAL LAYER, WHICH COMPRISE ORGANIC FRAMEWORK, AND OPTICAL DEVICE COMPRISING OPTICAL LAYER AS OPTICAL AMPLIFICATION LAYER OR10J3, POF1B, ORC3 NQO2 4787/4885ALDH1A1 2899/4885MAPT 3445/4885

“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.