Sugi Predict

Sugi Predict / Compounds / SCHEMBL419248

SCHEMBL419248

SCHEMBL419248

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ TP53 P04637 7/20 0.35
▸ LMNA P02545 2/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ACSS2 Q9NR19 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ IP6K1 Q92551 1/20 0.33
▸ IP6K3 Q96PC2 1/20 0.33
▸ IP6K2 Q9UHH9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL422950 0.91 TP53 (0.45) TP53LMNARAB9AHSD17B10MAPK1
SCHEMBL422655 0.88 ALDH1A1 (0.43) TSHRLMNASMN1; SMN2ACSS2ALDH1A1
SCHEMBL420166 0.87 ALDH1A1 (0.44) TP53LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL422480 0.85 KMT2A (0.43) TSHRSMN1; SMN2ALDH1A1HPGD
SCHEMBL422764 0.85 LMNA (0.48) TSHRLMNAALDH1A1HPGDMAPT
SCHEMBL3792855 0.83 TSHR (0.36) TSHRTP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL421612 0.81 ACHE (0.36) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL421303 0.81 KDM4E (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL419061 0.81 MAPT (0.36) RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL417927 0.81 MAPK1 (0.31) RAB9AMAPK1

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 TSHR 375/4885TP53 4740/4885LMNA 4701/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 TSHR 375/4885TP53 4740/4885LMNA 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.