SCHEMBL3927689

SCHEMBL3927689

Clc1cc(Cl)cc(Sc2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KCNA5 P22460 1/20 0.38
▸ KCND3 Q9UK17 1/20 0.38
▸ CYP19A1 P11511 6/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL9548473 0.83 CYP2A6 (0.50) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL17398007 0.83 CYP2A6 (0.38) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL30849345 0.77 DDAH1 (0.46) ALDH1A1MAPTLMNAHPGDCYP19A1
SCHEMBL11479924 0.77 DDAH1 (0.46) ALDH1A1MAPTLMNAHPGDCYP19A1
SCHEMBL28034439 0.75 DDAH1 (0.64) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL28423177 0.74 CHRNA7 (0.46) ALDH1A1MAPTLMNAHPGD
SCHEMBL1958579 0.74 POLB (0.44) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL1962185 0.73 TSHR (0.57) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL17233525 0.72 MEN1 (0.55) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL8736791 0.72 SMN1; SMN2 (0.43) MEN1KMT2AMAPTKDM4EHPGD

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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 — — US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 — — US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 — — US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 — — WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 — — 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 (3 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 ALDH1A1 731/4885MEN1 2463/4885KMT2A 2531/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 ALDH1A1 659/4885MEN1 2359/4885KMT2A 2491/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 ALDH1A1 489/4885MEN1 1354/4885KMT2A 3984/4885

“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.

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