SCHEMBL11943340

SCHEMBL11943340

O=c1c(OC2Cc3ccccc3C2)c(N2CCN(Cc3ccoc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MAPT P10636 2/20 0.39
▸ DCTPP1 Q9H773 3/20 0.38
▸ DRD2 P14416 5/20 0.37
▸ DRD4 P21917 5/20 0.37
▸ DRD3 P35462 5/20 0.37
▸ SMO Q99835 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ SRPK1 Q96SB4 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL11943451 0.90 NPC1 (0.43) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL11943344 0.85 SMN1; SMN2 (0.42) ALDH1A1POLBSMN1; SMN2LMNAKMT2A
SCHEMBL11943328 0.85 MAPK14 (0.44) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL11943368 0.84 ALDH1A1 (0.43) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL11943397 0.84 BCL2L1 (0.48) ALDH1A1POLBSMN1; SMN2LMNAKMT2A
SCHEMBL11943407 0.83 ALDH1A1 (0.42) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL11943320 0.83 ALDH1A1 (0.42) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL11943360 0.83 ALDH1A1 (0.53) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL11943472 0.82 DRD4 (0.51) ALDH1A1POLBKDM4ESMN1; SMN2LMNA
SCHEMBL11943468 0.82 ALDH1A1 (0.43) ALDH1A1POLBSMN1; SMN2LMNAKMT2A

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 ALDH1A1 2437/4885POLB 1088/4885KDM4E 1548/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885POLB 1016/4885KDM4E 1706/4885

“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.

Send feedback