SCHEMBL2610102

SCHEMBL2610102

O=C(Cn1c(-c2ccc[nH]2)nc2ccccc21)Nc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ LMNA P02545 3/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ MAPT P10636 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ TP53 P04637 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL2607494 0.90 KMT2A (0.64) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL10175827 0.84 KMT2A (0.70) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL2607470 0.83 KDM4E (0.69) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL2607496 0.81 KMT2A (0.66) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL2607501 0.81 GSK3B (0.69) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL2607478 0.81 KMT2A (0.68) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL13182350 0.81 KMT2A (0.65) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL2610181 0.81 MEN1 (0.68) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL13182395 0.80 MEN1 (0.64) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL2607457 0.80 KDM4E (0.73) KMT2AMEN1LMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 — — US disclosed
WO-2010108187-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2010-09-23 — — 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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 KMT2A 3016/4885MEN1 3561/4885LMNA 3978/4885

“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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