SCHEMBL11943322

SCHEMBL11943322

O=c1c(OC2CCN(Cc3ccccc3)CC2)c(N2CCN(C/C=C/c3ccccc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ SIGMAR1 Q99720 4/20 0.41
▸ HTR2A P28223 3/20 0.41
▸ HTR2C P28335 3/20 0.41
▸ HTR2B P41595 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 4/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ CCR2 P41597 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL11943387 0.87 LMNA (0.43) SMN1; SMN2KDM4ESIGMAR1ALDH1A1MEN1
SCHEMBL13304402 0.84 SMN1; SMN2 (0.52) SMN1; SMN2KDM4ESIGMAR1HTR2AHTR2C
SCHEMBL11943441 0.84 ALDH1A1 (0.44) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL11943446 0.83 SIGMAR1 (0.46) SMN1; SMN2SIGMAR1ALDH1A1KMT2ALMNA
SCHEMBL11943363 0.82 DRD4 (0.48) SMN1; SMN2KDM4ESIGMAR1ALDH1A1KMT2A
SCHEMBL11943467 0.81 LMNA (0.42) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL11943457 0.80 CYP2D6 (0.53) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL11943330 0.79 LMNA (0.46) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL11943458 0.79 SLC6A4 (0.42) SMN1; SMN2KDM4EKMT2ALMNAMAPT
SCHEMBL11943822 0.79 LMNA (0.52) SMN1; SMN2KDM4ESIGMAR1HTR2AALDH1A1

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 SMN1; SMN2 3911/4885KDM4E 1548/4885SIGMAR1 4544/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 SMN1; SMN2 3332/4885KDM4E 1706/4885SIGMAR1 4219/4885

“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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