SCHEMBL11943446

SCHEMBL11943446

O=c1c(OC2CCN(Cc3ccccc3)CC2)c(N2CCN(CCCc3ccccc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.46
▸ CCR3 P51677 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ USP2 O75604 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TSHR P16473 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
SCHEMBL11943341 0.88 SIGMAR1 (0.48) SIGMAR1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL17058055 0.86 KMT2A (0.45) SIGMAR1LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL11943467 0.85 LMNA (0.42) LMNASMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL17057983 0.85 MAPT (0.46) SIGMAR1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL11943441 0.85 ALDH1A1 (0.44) LMNAUSP2ALDH1A1NPSR1KMT2A
SCHEMBL11943363 0.85 DRD4 (0.48) SIGMAR1LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL11943322 0.83 SMN1; SMN2 (0.49) SIGMAR1LMNASMN1; SMN2USP2ALDH1A1
SCHEMBL11943457 0.82 CYP2D6 (0.53) SMN1; SMN2USP2ALDH1A1NPSR1KMT2A
SCHEMBL11943822 0.81 LMNA (0.52) SIGMAR1LMNASMN1; SMN2USP2ALDH1A1
SCHEMBL14081533 0.81 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1POLBKMT2A

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 SIGMAR1 4544/4885CCR3 3459/4885LMNA 929/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 SIGMAR1 4219/4885CCR3 4352/4885LMNA 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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