SCHEMBL20698658

SCHEMBL20698658

c1ccc2cc3nc4nccnc4nc3cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.56
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.41
RPS6KB2 Q9UBS0 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
ACHE P22303 1/20 0.40
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2422494 0.81 MAPT (0.56) NQO2ALDH1A1TDP1MAPTHPGD
SCHEMBL30459693 0.81 NQO2 (0.57) NQO2ALDH1A1PI4KAPI4K2BPI4K2A
SCHEMBL1193688 0.81 NQO2 (0.57) NQO2ALDH1A1PI4KAPI4K2BPI4K2A
SCHEMBL10735436 0.79 ALDH1A1 (0.52) NQO2ALDH1A1TDP1MAPTHPGD
SCHEMBL13156487 0.78 NQO2 (0.88) NQO2ALDH1A1TDP1RPS6KB2PI4KA
SCHEMBL13156531 0.78 ALDH1A1 (0.46) NQO2ALDH1A1TDP1MAPTHPGD
SCHEMBL13156490 0.77 NQO2 (0.52) NQO2ALDH1A1TDP1PI4KAPI4K2B
SCHEMBL13156532 0.77 NQO2 (0.52) NQO2ALDH1A1TDP1PI4KAPI4K2B
SCHEMBL8170243 0.76 ALDH1A1 (0.54) NQO2ALDH1A1MAPTHPGDGLA
Benzo[B]Phenazine SCHEMBL5481172 0.73 NQO2 (1.00) NQO2ALDH1A1TDP1RPS6KB2MAPT

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 2 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

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 2899/4885TDP1 3020/4885
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 2899/4885TDP1 3020/4885

“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.