SCHEMBL11943463

SCHEMBL11943463

O=c1c(OC2CCN(Cc3ccccc3)CC2)c(N2CCN(Cc3ccc(-c4cccs4)s3)CC2)cnn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ LMNA P02545 5/20 0.38
▸ MAPT P10636 5/20 0.38
▸ DRD4 P21917 3/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ROCK2 O75116 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36

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
SCHEMBL11943363 0.90 DRD4 (0.48) DRD2LMNAMAPTDRD4DRD3
SCHEMBL11943373 0.81 SMN1; SMN2 (0.50) DRD2LMNAMAPTDRD4DRD3
SCHEMBL11943446 0.81 SIGMAR1 (0.46) LMNAALDH1A1NPSR1TSHRKMT2A
SCHEMBL11943441 0.80 ALDH1A1 (0.44) DRD2HTR1ALMNAMAPTALDH1A1
SCHEMBL11943472 0.79 DRD4 (0.51) DRD2LMNAMAPTDRD4DRD3
SCHEMBL11943322 0.78 SMN1; SMN2 (0.49) LMNAMAPTALDH1A1KDM4EMAPK1
SCHEMBL11943467 0.78 LMNA (0.42) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL11943457 0.78 CYP2D6 (0.53) DRD2HTR1ADRD4DRD3ALDH1A1
SCHEMBL11943434 0.76 LMNA (0.38) LMNAMAPTALDH1A1KDM4EMAPK1
SCHEMBL11943822 0.76 LMNA (0.52) DRD2HTR1ALMNAMAPTDRD4

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 DRD2 4876/4885HTR1A 4010/4885LMNA 929/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 DRD2 4866/4885HTR1A 4468/4885LMNA 1760/4885

“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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