SCHEMBL4904481

SCHEMBL4904481

Cc1cc2c(-c3ccccc3)nccc2n1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.41
NTRK1 P04629 3/20 0.41
DHODH Q02127 1/20 0.39
PDE10A Q9Y233 2/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
BCHE P06276 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
KMT2A Q03164 1/20 0.36
VCP P55072 1/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
PTGDR Q13258 1/20 0.35

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
SCHEMBL27587944 0.69 SMN1; SMN2 (0.54) NQO2KDM4EKMT2AMAPT
SCHEMBL5967722 0.66 MCL1 (0.49) KDM4EHDAC8KMT2ATSHRMAPT
SCHEMBL30343692 0.66 MCL1 (0.49) KDM4EHDAC8KMT2ATSHRMAPT
Acetone SCHEMBL29117475 0.66 KDM4E (0.55) NTRK1DHODHPDE10APDE3BPDE3A
SCHEMBL4064101 0.66 PDE3B (0.48) NQO2PDE3BPDE3AKDM4EKMT2A
SCHEMBL20980503 0.66 MAPT (0.42) NQO2NTRK1PDE3BPDE3ABCHE
SCHEMBL4293106 0.65 PDE3B (0.47) PDE3BPDE3AKDM4EKMT2ATSHR
SCHEMBL5532401 0.64 DHODH (0.49) DHODHPDE10ASLC22A12KMT2ATSHR
SCHEMBL27504693 0.63 ALDH1A1 (0.54) SLC22A12KDM4EKMT2ATSHRMAPT
SCHEMBL31668450 0.63 ALDH1A1 (0.54) SLC22A12KDM4EKMT2ATSHRMAPT

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-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders ASTRAZENECA AB (SE) 2008-01-31 US disclosed
CN-1906189-A 1-acetic acid-indole, -indazole and-benzimidazole derivatives for the treatment of respiratory diseases ASTRAZENECA AB (SE) 2007-01-31 CN 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-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders IDO1, ABAT, ECI1 NQO2 164/4885NTRK1 3527/4885DHODH 1046/4885

“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.