SCHEMBL13304402

SCHEMBL13304402

O=c1c(NC2CCN(Cc3ccccc3)CC2)c(N2CCN(C/C=C/c3ccccc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ HTR2A P28223 4/20 0.47
▸ HTR2C P28335 4/20 0.47
▸ HTR2B P41595 4/20 0.47
▸ SIGMAR1 Q99720 4/20 0.47
▸ MCHR1 Q99705 7/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ USP2 O75604 2/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL11943322 0.84 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EHTR2AHTR2CHTR2B
SCHEMBL11943174 0.77 MAPT (0.49) SMN1; SMN2ALDH1A1POLBCYP3A4MAPT
SCHEMBL11943181 0.77 NR2F2 (0.47) MCHR1ALDH1A1KMT2APOLBCYP3A4
SCHEMBL11943275 0.77 FAAH (0.52) KDM4ESIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL13329125 0.77 FAAH (0.48) SMN1; SMN2KDM4EPOLBCYP3A4MAPT
SCHEMBL11943268 0.76 DCTPP1 (0.42) SMN1; SMN2ALDH1A1PRKAA2
SCHEMBL11943238 0.76 TP53 (0.42) SMN1; SMN2ALDH1A1POLBMAPTNPSR1
SCHEMBL11943154 0.75 GLA (0.49) SMN1; SMN2KDM4EALDH1A1USP2HSD17B10
SCHEMBL11943247 0.75 MAPK14 (0.58) SIGMAR1ALDH1A1KMT2AMAPTHTT
SCHEMBL11943270 0.74 MAPT (0.48) SMN1; SMN2KDM4EKMT2APOLBMAPT

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 2 patents. 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
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 SMN1; SMN2 3332/4885KDM4E 1706/4885HTR2A 4263/4885

“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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