Sugi Predict

Sugi Predict / Compounds / SCHEMBL7012250

SCHEMBL7012250

SCHEMBL7012250

COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)cc(N)c2c(-c2ccsc2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ AKR1C3 P42330 3/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PRKCZ Q05513 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL6765566 0.90 AKR1C3 (0.45) ALDH1A1HSD17B10HPGDKDM4ECASP1
SCHEMBL6772466 0.90 AKR1C3 (0.46) ALDH1A1HSD17B10HPGDKDM4ECASP1
SCHEMBL6771632 0.89 AKR1C3 (0.41) ALDH1A1HSD17B10HPGDKDM4ECASP1
SCHEMBL4603370 0.89 AKR1C3 (0.41) ALDH1A1HSD17B10HPGDKDM4ECASP1
SCHEMBL6765104 0.89 KDM4E (0.40) ALDH1A1HSD17B10HPGDKDM4ECASP1
SCHEMBL7009025 0.88 KDM4E (0.40) ALDH1A1HSD17B10HPGDKDM4ECASP1
SCHEMBL7012770 0.88 AKR1C3 (0.40) ALDH1A1HSD17B10HPGDKDM4ECASP1
SCHEMBL7010612 0.87 ADRA1A (0.46) ALDH1A1HSD17B10HPGDKDM4ETSHR
SCHEMBL6766802 0.87 AKR1C3 (0.43) ALDH1A1HSD17B10HPGDKDM4ECASP1
SCHEMBL6767472 0.87 AKR1C3 (0.43) ALDH1A1HSD17B10HPGDKDM4ECASP1

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 7 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

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 ALDH1A1 498/4885HSD17B10 1122/4885HPGD 472/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 ALDH1A1 420/4885HSD17B10 1186/4885HPGD 406/4885

“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.