SCHEMBL14596945

SCHEMBL14596945

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Nc1ccc(S(=O)(=O)Nc3nccs3)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ PKM P14618 5/20 0.46
▸ HTR6 P50406 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ SCN9A Q15858 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43

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
SCHEMBL14596972 0.88 RXFP1 (0.48) MEN1KMT2AMAPK1POLBALDH1A1
SCHEMBL14596967 0.87 HTR6 (0.45) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL14596978 0.87 KDM4E (0.47) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL14596931 0.86 LMNA (0.57) MEN1KMT2AALDH1A1KDM4EHTR6
SCHEMBL14596932 0.86 HTR6 (0.55) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL14596946 0.85 HTR1A (0.47) MEN1KMT2AALDH1A1KDM4EHTR6
SCHEMBL14596943 0.85 HTR1A (0.49) MEN1KMT2AALDH1A1KDM4EHTR6
SCHEMBL14596959 0.85 HTR6 (0.46) MEN1KMT2AALDH1A1KDM4EHTR6
SCHEMBL14596968 0.85 HTT (0.52) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL5452315 0.84 HTR1A (0.49) MEN1KMT2AALDH1A1KDM4EHTR6

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-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 — — US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 — — 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A MEN1 385/4885KMT2A 1271/4885MAPK1 3018/4885

“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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