Sugi Predict

Sugi Predict / Compounds / SCHEMBL6764873

SCHEMBL6764873

SCHEMBL6764873

COc1cc2nc(Cl)nc(Cl)c2c([N+](=O)[O-])c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.44
▸ MCL1 Q07820 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36

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
SCHEMBL11209986 0.79 SMN1; SMN2 (0.45) HTTKDM4ESMN1; SMN2GAAALDH1A1
SCHEMBL16689300 0.78 SMN1; SMN2 (0.44) TNFHTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL27491153 0.77 KDM4E (0.49) TNFMCL1PKMHTTKDM4E
SCHEMBL14367995 0.77 SMN1; SMN2 (0.42) TNFPKMHTTKDM4EMAPT
SCHEMBL6762661 0.76 PKM (0.45) TNFMCL1PKMHTTKDM4E
SCHEMBL28008552 0.76 SMN1; SMN2 (0.41) HTTKDM4ESMN1; SMN2ALDH1A1TUBB4A
SCHEMBL6767043 0.76 SMN1; SMN2 (0.41) TNFHTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL16689327 0.76 SMN1; SMN2 (0.41) TNFHTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL30166025 0.73 PKM (0.53) TNFMCL1PKMHTTKDM4E
SCHEMBL30833892 0.73 PKM (0.53) TNFMCL1PKMHTTKDM4E

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-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
EP-0877734-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY Pfizer Research and Development Company, N.V./S.A. (IE) 1998-11-18 — — EP disclosed
WO-1997023462-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-07-03 — — WO 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 TNF 4572/4885MCL1 1243/4885PKM 2095/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 TNF 4609/4885MCL1 1424/4885PKM 2093/4885

“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.