SCHEMBL11943533

SCHEMBL11943533

CC1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
DCTPP1 Q9H773 4/20 0.67
MAPT P10636 2/20 0.65
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
HTT P42858 2/20 0.54
MITF O75030 1/20 0.54
S1PR4 O95977 1/20 0.54
THRB P10828 1/20 0.54
XBP1 P17861 1/20 0.54
S1PR1 P21453 1/20 0.54
PAX8 Q06710 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CA12 O43570 3/20 0.51

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
SCHEMBL14080989 0.89 POLB (0.59) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL13219330 0.85 ALDH1A1 (0.70) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL11943534 0.84 ALDH1A1 (0.73) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL6030180 0.82 ALDH1A1 (0.66) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL11946067 0.74 NPSR1 (0.55) ALDH1A1DCTPP1MAPTSMN1; SMN2RXFP1
SCHEMBL11943532 0.74 MAPT (0.43) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL13219453 0.74 ALDH1A1 (0.59) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL11943537 0.73 POLB (0.64) ALDH1A1DCTPP1MAPTSMN1; SMN2NPC1
SCHEMBL11943538 0.72 ALDH1A1 (0.62) ALDH1A1DCTPP1MAPTSMN1; SMN2RAB9A
SCHEMBL4675758 0.71 CA12 (0.56) ALDH1A1DCTPP1MAPTSMN1; SMN2POLB

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 625/4885MAPT 2295/4885

“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.