SCHEMBL4132286

SCHEMBL4132286

NNC(=O)C(Cc1c[nH]c2ccccc12)OC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ MAPT P10636 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MPO P05164 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ GAA P10253 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ POLB P06746 2/20 0.51
▸ APAF1 O14727 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ECE1 P42892 2/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ ADRB1 P08588 1/20 0.49

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
Hydrochloric Acid SCHEMBL28371346 0.99 KMT2A (0.53) KMT2AMAPTKDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL28371347 0.99 KMT2A (0.53) KMT2AMAPTKDM4EMEN1LMNA
SCHEMBL4110000 0.89 KDM4E (0.53) KMT2AMAPTKDM4EMEN1LMNA
SCHEMBL8703769 0.87 KMT2A (0.50) KMT2AMAPTKDM4EMEN1LMNA
SCHEMBL27484963 0.87 MAPT (0.59) KMT2AMAPTKDM4EMEN1LMNA
SCHEMBL27484962 0.87 MAPT (0.59) KMT2AMAPTKDM4EMEN1LMNA
SCHEMBL28371206 0.85 KDM4E (0.50) KMT2AMAPTKDM4EMEN1LMNA
SCHEMBL28371204 0.85 KDM4E (0.50) KMT2AMAPTKDM4EMEN1LMNA
SCHEMBL8483346 0.83 MMP9 (0.63) KMT2AMAPTKDM4EMEN1POLB
SCHEMBL28799369 0.82 SOS1 (0.56) KMT2AMAPTMEN1LMNAALDH1A1

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-8357705-B2 Substituted cyclohexyldiamines GRUENENTHAL GMBH (DE) 2013-01-22 — — US disclosed
US-20090247591-A1 SUBSTITUTED CYCLOHEXYLDIAMINES GRUNENTHAL GMBH (DE) 2009-10-01 — — 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-20090247591-A1 SUBSTITUTED CYCLOHEXYLDIAMINES OPRL1, OPRD1, OPRK1 KMT2A 1985/4885MAPT 1952/4885KDM4E 2411/4885

“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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