SCHEMBL2676222

SCHEMBL2676222

O=C(CN1CCN(Cc2c(C(=O)O)c3ccccc3c(=O)n2-c2ccccc2)CC1)Nc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 3/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 2/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TAOK1 Q7L7X3 1/20 0.45
ACHE P22303 2/20 0.44
APP P05067 2/20 0.44
BCHE P06276 1/20 0.44
GLA P06280 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL1717492 0.85 TACR3 (0.43) OGAALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL2675296 0.84 KDM4E (0.50) ALDH1A1MAPTSMN1; SMN2LMNATSHR
SCHEMBL2675627 0.84 RAB9A (0.40) ALDH1A1MAPTLMNATSHRGAA
SCHEMBL1718050 0.82 KDM4E (0.49) ALDH1A1MAPTSMN1; SMN2LMNATSHR
SCHEMBL2676797 0.82 ALDH1A1 (0.50) ALDH1A1MAPTLMNATSHRKDM4E
SCHEMBL2675429 0.80 SLC2A1 (0.41) ALDH1A1MAPTLMNATSHRGAA
SCHEMBL2676766 0.79 MCL1 (0.46) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL2676392 0.79 MAPK1 (0.45) ALDH1A1MAPTSMN1; SMN2LMNATSHR
SCHEMBL2675569 0.79 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2LMNATSHR
SCHEMBL2677275 0.79 KDM4E (0.46) ALDH1A1SMN1; SMN2TSHRGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US claimed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US claimed
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 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-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 OGA 4728/4885ALDH1A1 2304/4885MAPT 3659/4885

“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.