SCHEMBL11943468

SCHEMBL11943468

O=c1c(OC2Cc3ccccc3C2)c(N2CCN(Cc3ccc(-c4ccccn4)cc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ TGFBR1 P36897 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DRD2 P14416 2/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ DCTPP1 Q9H773 3/20 0.38
▸ MCHR1 Q99705 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL11943360 0.85 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL11943340 0.82 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL11943344 0.82 SMN1; SMN2 (0.42) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL11943432 0.81 CYP2D6 (0.48) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL11943368 0.81 ALDH1A1 (0.43) ALDH1A1TSHRMAPTSMN1; SMN2LMNA
SCHEMBL11943397 0.81 BCL2L1 (0.48) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL11943472 0.79 DRD4 (0.51) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL11943470 0.79 DRD4 (0.43) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL11943429 0.79 SMO (0.48) ALDH1A1TSHRMAPTLMNAPOLB
SCHEMBL14081494 0.79 SMN1; SMN2 (0.39) ALDH1A1MAPTSMN1; SMN2LMNAPOLB

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 2437/4885TSHR 4729/4885MAPT 2295/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885TSHR 4577/4885MAPT 3651/4885

“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