SCHEMBL3232641

SCHEMBL3232641

Clc1cc(-c2ccccc2)c(N2CC[CH]CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HTR1A P08908 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR5A P47898 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ MET P08581 1/20 0.36
▸ NCF1 P14598 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ ABL1 P00519 1/20 0.33

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
SCHEMBL29856816 0.72 CNR2 (0.44) DHFRALDH1A1HTR6HPGDLMNA
SCHEMBL19819310 0.72 CNR2 (0.44) DHFRALDH1A1HTR6HPGDLMNA
SCHEMBL23277179 0.70 CYP2A6 (0.46) L3MBTL1ALDH1A1TDP1HPGDNPSR1
SCHEMBL30919693 0.70 CYP2A6 (0.46) L3MBTL1ALDH1A1TDP1HPGDNPSR1
SCHEMBL19815810 0.67 ALDH1A1 (0.43) L3MBTL1ALDH1A1TDP1HPGDNPSR1
SCHEMBL16702402 0.67 MAP4K4 (0.47) KDM4EALDH1A1MAPTHSP90AA1HSP90AB1
SCHEMBL14379732 0.67 LMNA (0.42) DHFRKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL21223238 0.67 MAP4K4 (0.40) L3MBTL1ALDH1A1HPGDABL1PDGFRA
SCHEMBL21290181 0.67 MAP4K4 (0.47) ALDH1A1TDP1NPSR1ABL1PDGFRA
SCHEMBL19814930 0.67 JAK2 (0.40) KDM4EALDH1A1METMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 — — US claimed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 — — US disclosed
WO-2009131947-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 — — 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 (3 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-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives CFTR, PKD1, PKD2 DHFR 154/4885KDM4E 4244/4885L3MBTL1 4301/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 DHFR 736/4885KDM4E 4565/4885L3MBTL1 3749/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 DHFR 736/4885KDM4E 4565/4885L3MBTL1 3749/4885

“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.

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