SCHEMBL6766366

SCHEMBL6766366

COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)cc(N)c2c(-c2ccccc2)c1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
GAA P10253 5/20 0.54
KDM4E B2RXH2 4/20 0.54
GLA P06280 4/20 0.54
HSD17B10 Q99714 4/20 0.54
HPGD P15428 4/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
RAB9A P51151 3/20 0.54
CYP3A4 P08684 2/20 0.54
ADRA2B P18089 2/20 0.54
ADRA2C P18825 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
OPRM1 P35372 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
TP53 P04637 2/20 0.54
SLC22A2 O15244 1/20 0.54

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
SCHEMBL6767219 0.97 ALDH1A1 (0.51) ALDH1A1GAAKDM4EGLAHSD17B10
SCHEMBL6771779 0.87 ALDH1A1 (0.68) ALDH1A1GAAKDM4EGLAHSD17B10
SCHEMBL6764902 0.82 KDM4E (0.40) KDM4EHSD17B10LMNAMAPTRAB9A
SCHEMBL6765595 0.82 CKS1B (0.49)
SCHEMBL10617259 0.81 KDM4E (0.73) ALDH1A1GAAKDM4EGLAHSD17B10
SCHEMBL6765566 0.81 AKR1C3 (0.45) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL6771618 0.79 CKS1B (0.52)
SCHEMBL6765711 0.79 CFD (0.39) KDM4EHSD17B10LMNAMAPTRAB9A
SCHEMBL6765722 0.79 CNR2 (0.48) KDM4E
SCHEMBL27506529 0.79 KMT2A (0.58) ALDH1A1GAAKDM4EGLAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750214-B2 PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COLLIS ALAN JOHN (US) 2004-06-15 US disclosed
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy PFIZER INC. 2003-11-27 US disclosed
US-6642242-B2 Antiproliferative agents to treat benign prostatic hyperplasia PFIZER INC. 2003-11-04 US disclosed
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy COLLIS ALAN JOHN (GB) 2002-04-25 US disclosed
US-6103738-A Quinoline and quinazoline compounds useful in therapy PFIZER INC. (US) 2000-08-15 US disclosed
EP-0877734-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER RES & DEV (IE) 2000-07-12 EP 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-20020049322-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, IDH3B ALDH1A1 514/4885GAA 3403/4885KDM4E 2989/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 ALDH1A1 557/4885GAA 3390/4885KDM4E 2944/4885

“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.