SCHEMBL6598568

SCHEMBL6598568

O=C(Cl)Cc1ccccc1N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
AKR1C3 P42330 2/20 0.49
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SCN2A Q99250 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL6554165 0.86 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C19AKR1C3
SCHEMBL31226086 0.86 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C19AKR1C3
SCHEMBL18889506 0.82 SMN1; SMN2 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C19AKR1C3
SCHEMBL31256649 0.82 SMN1; SMN2 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C19AKR1C3
SCHEMBL6509065 0.80 PKM (0.60) ALDH1A1CYP1A2CYP3A4CYP2C19AKR1C3
SCHEMBL11951501 0.80 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C19AKR1C3
SCHEMBL31225547 0.79 LMNA (0.54) ALDH1A1CYP1A2CYP3A4CYP2C19AKR1C3
SCHEMBL1715455 0.78 AKR1C3 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C19AKR1C3
SCHEMBL9802930 0.78 PKM (0.48) ALDH1A1CYP1A2CYP3A4CYP2C19AKR1C3
Ammonia Solution, Strong SCHEMBL28335510 0.78 PKM (0.58) ALDH1A1CYP1A2CYP3A4CYP2C19AKR1C3

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
EP-1280802-B1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD (KR) 2004-05-06 EP disclosed
US-6620831-B2 Cyclin dependent kinase inhibitors; anticarcinogenic and antiinflammatory agents; restenosis, angiogenesis LG LIFE SCIENCES LTD. (KR) 2003-09-16 US disclosed
US-20030149034-A1 INDAZOLES SUBSTITUTED WITH1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD. (KR) 2003-08-07 US disclosed
EP-1280802-A4 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD (KR) 2003-06-11 EP disclosed
EP-1280802-A1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG Life Sciences Ltd. (KR) 2003-02-05 EP disclosed
WO-2001085726-A1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD. (KR) 2001-11-15 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 (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-20030149034-A1 INDAZOLES SUBSTITUTED WITH1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION CCNA1, CCNI, CCNT1 ALDH1A1 543/4885CYP1A2 1067/4885CYP3A4 1226/4885

“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.