SCHEMBL7005481

SCHEMBL7005481

COc1cc2c(cc1OC)CN(c1cc(N)c3c(I)c(OC)c(OC)cc3n1)CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.67
ADRA1A P35348 1/20 0.67
ADRA1B P35368 1/20 0.67
KMT2A Q03164 2/20 0.51
MAOB P27338 5/20 0.44
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
MAOA P21397 2/20 0.39
SLC6A4 P31645 1/20 0.39
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
CA7 P43166 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CHKA P35790 1/20 0.37

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
SCHEMBL7012470 0.83 ADRA1D (0.61) ADRA1DADRA1AADRA1BKMT2AMAOB
Abanoquil SCHEMBL528781 0.81 ADRA1D (1.00) ADRA1DADRA1AADRA1BKMT2AMAOB
SCHEMBL7013687 0.81 ADRA1D (0.58) ADRA1DADRA1AADRA1BKMT2AMEN1
SCHEMBL7660745 0.79 ADRA1D (0.56) ADRA1DADRA1AADRA1BKMT2AMAOB
SCHEMBL9669562 0.75 ADRA1D (0.87) ADRA1DADRA1AADRA1BKMT2AMAOB
SCHEMBL9669522 0.75 ADRA1D (0.87) ADRA1DADRA1AADRA1BKMT2AMAOB
Abanoquil SCHEMBL29711625 0.74 ADRA1D (0.85) ADRA1DADRA1AADRA1BKMT2AMAOB
Hydrochloric Acid SCHEMBL9670264 0.74 ADRA1D (0.85) ADRA1DADRA1AADRA1BKMT2AMAOB
Abanoquil SCHEMBL3672975 0.74 ADRA1D (0.85) ADRA1DADRA1AADRA1BKMT2AMAOB
Abanoquil SCHEMBL8856969 0.72 ADRA1D (0.80) ADRA1DADRA1AADRA1BKMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653302-B2 Benign prostatic hyperplasia PFIZER INC. 2003-11-25 US disclosed
US-20030130259-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2003-07-10 US disclosed
EP-0968208-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER LTD (GB) 2003-06-04 EP disclosed
US-6521629-B2 2-amine substituted quinoline or quinozoline derivatives useful for treating benign prostatic hyperplasia PFIZER INC. 2003-02-18 US disclosed
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2002-04-04 US disclosed
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 US disclosed
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 US disclosed
CN-1243513-A Quinoline and quinazoline compounds for the treatment, in particular for the treatment of benign prostatic hyperplasia PFIZER LTD (US) 2000-02-02 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 (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-20030130259-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, LPXN ADRA1D 83/4885ADRA1A 93/4885ADRA1B 91/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 ADRA1D 83/4885ADRA1A 100/4885ADRA1B 94/4885

“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.