SCHEMBL11943479

SCHEMBL11943479

O=C(Cc1cccc(C(F)(F)F)c1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 4/20 0.45
▸ HTT P42858 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ GAA P10253 2/20 0.43
▸ DCTPP1 Q9H773 2/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42

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
SCHEMBL11943391 0.84 SMN1; SMN2 (0.47) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL11943395 0.84 MAPT (0.42) KMT2ANPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL11943840 0.84 KMT2A (0.49) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL11943413 0.78 SMO (0.49) KMT2ANPSR1MAPTALDH1A1LMNA
SCHEMBL11943474 0.77 FAAH (0.49) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL17058557 0.77 DCTPP1 (0.40) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL11943230 0.77 ALDH1A1 (0.47) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL11943482 0.76 GFER (0.58) KMT2AMEN1CYP3A4MAPTALDH1A1
SCHEMBL11943836 0.76 ALDH1A1 (0.47) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL14082616 0.76 HTR1A (0.52) KMT2AMEN1CYP1A2CYP3A4CYP2C19

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 KMT2A 3312/4885MEN1 1830/4885CYP1A2 310/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 KMT2A 2126/4885MEN1 1878/4885CYP1A2 445/4885

“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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