SCHEMBL13329623

SCHEMBL13329623

N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2NCCOc2cccnc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.41
▸ DCTPP1 Q9H773 3/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ LMNA P02545 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ DRD2 P14416 3/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL13304332 0.88 DCTPP1 (0.42) ALDH1A1DCTPP1RXFP1LMNASMN1; SMN2
SCHEMBL11953028 0.87 ALDH1A1 (0.44) ALDH1A1DCTPP1RXFP1LMNASMN1; SMN2
SCHEMBL11952504 0.78 ALDH1A1 (0.46) ALDH1A1DCTPP1SMN1; SMN2HPGDKDM4E
SCHEMBL11943112 0.74 DCTPP1 (0.43) ALDH1A1DCTPP1RXFP1LMNASMN1; SMN2
SCHEMBL11943111 0.71 ALDH1A1 (0.48) ALDH1A1DCTPP1RXFP1LMNASMN1; SMN2
SCHEMBL11943138 0.70 ALDH1A1 (0.46) ALDH1A1DCTPP1RXFP1LMNASMN1; SMN2
SCHEMBL11943132 0.70 MAPT (0.46) ALDH1A1DCTPP1RXFP1LMNASMN1; SMN2
SCHEMBL11943139 0.70 KDM4E (0.46) ALDH1A1DCTPP1RXFP1LMNASMN1; SMN2
SCHEMBL11953214 0.69 ALDH1A1 (0.46) ALDH1A1DCTPP1RXFP1LMNASMN1; SMN2
SCHEMBL11943158 0.68 EPHX2 (0.46) ALDH1A1DCTPP1RXFP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — 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 (1 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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885DCTPP1 209/4885RXFP1 4060/4885

“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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