SCHEMBL4010350

SCHEMBL4010350

O=C(Nc1ccccc1Cl)c1nc(C(Cl)(Cl)Cl)n(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NR3C1 P04150 1/20 0.48
KDM4E B2RXH2 1/20 0.46
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
KCNJ6 P48051 1/20 0.43
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
EPHB3 P54753 2/20 0.43
RIPK1 Q13546 1/20 0.43
GLA P06280 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL13901654 0.91 POLB (0.48) MAPTALDH1A1NPSR1NR3C1KDM4E
SCHEMBL4015076 0.89 POLB (0.46) MAPTALDH1A1NPSR1NR3C1KDM4E
SCHEMBL13901607 0.88 CYP2C19 (0.41) MAPTALDH1A1NPSR1NR3C1KDM4E
SCHEMBL13901652 0.82 RIPK1 (0.47) MAPTALDH1A1NPSR1KDM4EKCNJ6
SCHEMBL4083462 0.81 CA1 (0.43) MAPTALDH1A1NPSR1KDM4EPOLB
SCHEMBL4088676 0.80 POLB (0.41) MAPTALDH1A1NPSR1NR3C1KDM4E
SCHEMBL13901656 0.80 S1PR5 (0.43) POLB
SCHEMBL4017916 0.80 SMN1; SMN2 (0.58) MAPTALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL4015676 0.79 POLB (0.40) MAPTALDH1A1NPSR1NR3C1KDM4E
SCHEMBL13901918 0.79 CA1 (0.42) MAPTALDH1A1NPSR1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 MAPT 3755/4885ALDH1A1 1426/4885NPSR1 3473/4885

“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.