SCHEMBL422480

SCHEMBL422480

O=C(c1ccc2nc3n(c2c1)CCN(C1=CC=C1)CC3)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
HPGD P15428 5/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.40
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 4/20 0.39
PHGDH O43175 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL420930 0.92 KMT2A (0.50) KMT2AHPGDTSHRHTTPKM
SCHEMBL422655 0.91 ALDH1A1 (0.43) HPGDTSHRHTTALDH1A1SMN1; SMN2
SCHEMBL420166 0.90 ALDH1A1 (0.44) HPGDALDH1A1SMN1; SMN2
SCHEMBL422764 0.88 LMNA (0.48) KMT2AHPGDTSHRALDH1A1
SCHEMBL419248 0.85 TSHR (0.37) HPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL419958 0.82 TP53 (0.46) HPGDALDH1A1SMN1; SMN2
SCHEMBL422479 0.78 HRH3 (0.51) KMT2AHPGDTSHRHTTCNR1
SCHEMBL422950 0.76 TP53 (0.45)
SCHEMBL3792855 0.76 TSHR (0.36) KMT2ATSHRHTTALDH1A1SMN1; SMN2
SCHEMBL1791341 0.76 PKM (0.49) KMT2AHPGDPKMCNR1ALDH1A1

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-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KMT2A 453/4885HPGD 403/4885TSHR 375/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KMT2A 453/4885HPGD 403/4885TSHR 375/4885

“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.