SCHEMBL419958

SCHEMBL419958

O=C(c1ccc2c(c1)nc1n2CCN(C2=CC=C2)CC1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C19 P33261 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
SCHEMBL422655 0.92 ALDH1A1 (0.43) ALDH1A1LMNAHPGDSMN1; SMN2CYP2C19
SCHEMBL420930 0.91 KMT2A (0.50) TP53ALDH1A1HPGD
SCHEMBL420166 0.91 ALDH1A1 (0.44) TP53ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL422950 0.88 TP53 (0.45) TP53LMNA
SCHEMBL421073 0.83 TP53 (0.43) TP53LMNA
SCHEMBL422480 0.82 KMT2A (0.43) ALDH1A1HPGDSMN1; SMN2
SCHEMBL422764 0.82 LMNA (0.48) ALDH1A1LMNAHPGDCYP2C19
SCHEMBL420411 0.79 RAB9A (0.40) TP53ALDH1A1LMNASMN1; SMN2
SCHEMBL419248 0.79 TSHR (0.37) TP53ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL419957 0.77 L3MBTL3 (0.50) TP53ALDH1A1LMNAHPGDSMN1; SMN2

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 TP53 4740/4885ALDH1A1 2598/4885LMNA 4701/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 TP53 4740/4885ALDH1A1 2598/4885LMNA 4701/4885

“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.