SCHEMBL4808230

SCHEMBL4808230

c1ccc(-c2cccc(-c3nc4ccccc4[nH]3)n2)nc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 11/20 0.81
METAP1 P53582 8/20 0.81
SMN1; SMN2 Q16637 7/20 0.81
NPC1 O15118 7/20 0.81
RAB9A P51151 7/20 0.81
PKM P14618 6/20 0.81
LMNA P02545 4/20 0.81
HPGD P15428 3/20 0.81
MTOR P42345 1/20 0.81
KDM4E B2RXH2 6/20 0.58
TP53 P04637 5/20 0.58
ALOX15 P16050 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
ALPL P05186 1/20 0.58
HSP90AA1 P07900 1/20 0.58
ALPI P09923 1/20 0.58
ALPG P10696 1/20 0.58
MAPK1 P28482 1/20 0.58
CCR1 P32246 1/20 0.58

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
Hydrochloric Acid SCHEMBL4812284 0.98 METAP2 (0.79) METAP2METAP1SMN1; SMN2NPC1RAB9A
SCHEMBL29484603 0.90 METAP2 (1.00) METAP2METAP1SMN1; SMN2NPC1RAB9A
SCHEMBL29484592 0.90 METAP2 (1.00) METAP2METAP1SMN1; SMN2NPC1RAB9A
SCHEMBL29405601 0.90 METAP2 (1.00) METAP2METAP1SMN1; SMN2NPC1RAB9A
SCHEMBL124947 0.90 METAP2 (1.00) METAP2METAP1SMN1; SMN2NPC1RAB9A
SCHEMBL31509605 0.90 NPC1 (0.69) METAP2METAP1SMN1; SMN2NPC1RAB9A
SCHEMBL29079508 0.90 NPC1 (0.69) METAP2METAP1SMN1; SMN2NPC1RAB9A
SCHEMBL9338775 0.88 METAP2 (0.96) METAP2METAP1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL2147494 0.88 METAP2 (0.96) METAP2METAP1SMN1; SMN2NPC1RAB9A
SCHEMBL28109331 0.88 METAP2 (0.96) METAP2METAP1SMN1; SMN2NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459457-B2 Polycyclic pyridines as potassium ion channel modulators ICAGEN, INC. (US) 2008-12-02 US claimed
US-7459457-B2 Polycyclic pyridines as potassium ion channel modulators ICAGEN, INC. (US) 2008-12-02 US disclosed
EP-1742936-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-17 EP disclosed
WO-2005100340-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed
US-20050227958-A1 Polycyclic pyridines as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-13 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-20050227958-A1 Polycyclic pyridines as potassium ion channel modulators KCNJ2, KCNH2, KCNQ1 METAP2 4135/4885METAP1 4396/4885SMN1; SMN2 3670/4885

“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.