SCHEMBL12443567

SCHEMBL12443567

O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cn2cc(Cl)cn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 1.00
▸ SMN1; SMN2 Q16637 7/20 1.00
▸ MEN1 O00255 6/20 1.00
▸ LMNA P02545 5/20 1.00
▸ TP53 P04637 1/20 1.00
▸ HPGD P15428 1/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ MAPT P10636 6/20 0.75
▸ HTT P42858 1/20 0.73
▸ L3MBTL1 Q9Y468 2/20 0.69
▸ ALDH1A1 P00352 3/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ CYP1A2 P05177 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ PLA2G1B P04054 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ ATG4B Q9Y4P1 1/20 0.61
▸ RAB9A P51151 3/20 0.60

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
SCHEMBL12443573 0.88 KMT2A (0.79) KMT2ASMN1; SMN2MEN1LMNATP53
SCHEMBL17303449 0.76 HSD17B10 (0.79) KMT2ASMN1; SMN2MEN1LMNATP53
SCHEMBL2681347 0.76 NPC1 (0.80) KMT2ASMN1; SMN2MEN1LMNATP53
SCHEMBL13754031 0.75 NPC1 (0.69) KMT2ASMN1; SMN2MEN1LMNATP53
SCHEMBL23833442 0.75 HSD17B10 (1.00) KMT2ASMN1; SMN2MEN1LMNATP53
SCHEMBL6557523 0.74 NPC1 (0.77) KMT2ASMN1; SMN2MEN1LMNATP53
SCHEMBL23846416 0.73 L3MBTL1 (0.59) KMT2ASMN1; SMN2MEN1LMNATP53
SCHEMBL13504916 0.73 LMNA (0.56) KMT2ASMN1; SMN2MEN1LMNATP53
SCHEMBL12531157 0.72 MEN1 (0.62) KMT2ASMN1; SMN2MEN1LMNATP53
Hydrochloric Acid SCHEMBL3611947 0.72 LMNA (0.56) KMT2ASMN1; SMN2MEN1LMNATP53

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-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 — — US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 — — US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 — — US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 — — 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 KMT2A 4781/4885SMN1; SMN2 4839/4885MEN1 3685/4885

“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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