SCHEMBL4394655

SCHEMBL4394655

Cc1nccc2[nH]c(C(=O)O)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51
DYRK1A Q13627 1/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 3/20 0.46
GRIN1 Q05586 2/20 0.46
PIN1 Q13526 1/20 0.46
MEN1 O00255 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
AHR P35869 1/20 0.46
CHRNA7 P36544 1/20 0.46

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
SCHEMBL13175943 0.83 DYRK1A (0.51) PDE3BPDE3ADYRK1AKDM4EALDH1A1
SCHEMBL30189256 0.80 GRIN1 (0.50) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL24113095 0.80 GRIN1 (0.50) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL10810922 0.80 KDM4E (0.57) PDE3BPDE3ADYRK1AKDM4EALDH1A1
SCHEMBL27626392 0.80 KDM4E (0.44) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL24020812 0.80 KDM4E (0.48) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL30310570 0.80 KDM4E (0.48) KDM4EALDH1A1HSD17B10LMNAHPGD
Hydrochloric Acid SCHEMBL29761726 0.78 KDM4E (0.47) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL17531158 0.74 PDE3B (0.56) PDE3BPDE3ADYRK1AKDM4EALDH1A1
SCHEMBL23147745 0.73 NUDT1 (0.44) KDM4EHPGDPIN1GPR35DAO

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-8268854-B2 Aza-beta-carbolines and methods of using same THE UWM RESEARCH FOUNDATION, INC. (US) 2012-09-18 US disclosed
US-20090306121-A1 AZA-BETA-CARBOLINES AND METHODS OF USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-10 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-20090306121-A1 AZA-BETA-CARBOLINES AND METHODS OF USING SAME CHRNA7, CHRNA2, CHRNA5 PDE3B 101/4885PDE3A 176/4885DYRK1A 3654/4885

“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.