SCHEMBL11943538

SCHEMBL11943538

CN1CCN(c2cnn(-c3ccc(F)cc3)c(=O)c2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
DCTPP1 Q9H773 4/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 2/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
PPARG P37231 1/20 0.56
NCOA2 Q15596 1/20 0.56
NCOA1 Q15788 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA9 Q16790 5/20 0.55

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
SCHEMBL13219453 0.90 ALDH1A1 (0.59) ALDH1A1DCTPP1SMN1; SMN2MAPTPOLB
SCHEMBL11946121 0.87 ALDH1A1 (0.51) ALDH1A1DCTPP1SMN1; SMN2MAPTPOLB
SCHEMBL11943534 0.87 ALDH1A1 (0.73) ALDH1A1DCTPP1SMN1; SMN2MAPTPOLB
SCHEMBL11943535 0.82 SMN1; SMN2 (0.53) ALDH1A1DCTPP1SMN1; SMN2MAPTPOLB
SCHEMBL11943537 0.81 POLB (0.64) ALDH1A1DCTPP1SMN1; SMN2MAPTPOLB
SCHEMBL11943536 0.80 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MAPTPOLBTP53
SCHEMBL2547161 0.76 ALDH1A1 (0.60) ALDH1A1DCTPP1SMN1; SMN2MAPTPOLB
SCHEMBL4673039 0.75 ALDH1A1 (0.82) ALDH1A1DCTPP1SMN1; SMN2MAPTPOLB
SCHEMBL4672611 0.75 DCTPP1 (0.64) ALDH1A1DCTPP1SMN1; SMN2MAPTRAB9A
SCHEMBL4904270 0.75 CA12 (0.74) ALDH1A1DCTPP1SMN1; SMN2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 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 (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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA ALDH1A1 2437/4885DCTPP1 625/4885SMN1; SMN2 3911/4885

“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.