SCHEMBL11943395

SCHEMBL11943395

O=C(CCc1cc(C(F)(F)F)ccc1C(F)(F)F)N1CCN(c2cnn(-c3ccccc3)c(=O)c2OCc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MC4R P32245 11/20 0.41
▸ DCTPP1 Q9H773 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL11943479 0.84 KMT2A (0.49) MAPTSMN1; SMN2ALDH1A1DCTPP1TSHR
SCHEMBL11943386 0.76 USP2 (0.53) MAPTALDH1A1KMT2A
SCHEMBL11943391 0.76 SMN1; SMN2 (0.47) MAPTSMN1; SMN2ALDH1A1DCTPP1HTT
SCHEMBL17058594 0.75 GRM5 (0.43) MAPTSMN1; SMN2ALDH1A1DCTPP1TSHR
SCHEMBL11943474 0.73 FAAH (0.49) MAPTSMN1; SMN2ALDH1A1DCTPP1HTT
SCHEMBL11943482 0.73 GFER (0.58) MAPTSMN1; SMN2ALDH1A1DCTPP1TSHR
SCHEMBL11943840 0.73 KMT2A (0.49) MAPTSMN1; SMN2ALDH1A1DCTPP1TSHR
SCHEMBL11943384 0.72 DCTPP1 (0.55) MAPTSMN1; SMN2ALDH1A1DCTPP1TSHR
SCHEMBL11943477 0.71 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1DCTPP1HTT
SCHEMBL11943413 0.71 SMO (0.49) MAPTALDH1A1TSHRHTTNPSR1

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 MAPT 2295/4885SMN1; SMN2 3911/4885ALDH1A1 2437/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 MAPT 3651/4885SMN1; SMN2 3332/4885ALDH1A1 2003/4885

“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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