SCHEMBL11943181

SCHEMBL11943181

O=c1c(NC2CCN(Cc3ccccc3)CC2)c(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cnn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2F2 P24468 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TRPV4 Q9HBA0 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ DCTPP1 Q9H773 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NCOA2 Q15596 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ CNR1 P21554 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLC6A12 P48065 1/20 0.41

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
SCHEMBL11943174 0.88 MAPT (0.49) NR2F2MAPTALDH1A1DCTPP1POLB
SCHEMBL13329196 0.84 ALDH1A1 (0.49) NR2F2MAPTALDH1A1DCTPP1POLB
SCHEMBL11943310 0.83 ALDH1A1 (0.48) MAPTALDH1A1DCTPP1KMT2A
SCHEMBL11943295 0.77 MAPT (0.53) MAPTALDH1A1DCTPP1POLBLMNA
SCHEMBL13304402 0.77 SMN1; SMN2 (0.52) MAPTALDH1A1POLBCYP3A4CYP2C19
SCHEMBL11943270 0.77 MAPT (0.48) MAPTDCTPP1POLBLMNAHTT
SCHEMBL11943261 0.75 DCTPP1 (0.47) ALDH1A1DCTPP1POLB
SCHEMBL11943238 0.75 TP53 (0.42) MAPTALDH1A1DCTPP1POLBNPSR1
SCHEMBL11943303 0.74 ALDH1A1 (0.55) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL11943275 0.74 FAAH (0.52) MAPTALDH1A1KMT2A

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
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — 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 (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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA NR2F2 4450/4885MAPT 2295/4885TRPV4 4787/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 NR2F2 3822/4885MAPT 3651/4885TRPV4 4836/4885

“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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