SCHEMBL10199199

SCHEMBL10199199

C=C(Nc1ccc(OC)c(C(=O)N[C@@H](CCCCN)C(=O)Nc2ccc(OC)c(C(=O)N[C@@H](CCCCN)C(=O)Nc3ccc(SC)c(C(=O)N[C@@H](CCCCN)C(=O)Nc4ccc(SC)c(C(N)=O)c4)c3)c2)c1)[C@@H](N)CCCCN

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ ERAP2 Q6P179 5/20 0.36
▸ LNPEP Q9UIQ6 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ERAP1 Q9NZ08 2/20 0.36
▸ SUV39H2 Q9H5I1 2/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ MEF2D Q14814 1/20 0.35

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
SCHEMBL12444374 0.94 ERAP2 (0.42) KMT2AMEN1ERAP2LNPEPALDH1A1
SCHEMBL19944719 0.93 ERAP2 (0.41) KMT2AMEN1ERAP2LNPEPALDH1A1
SCHEMBL10199132 0.93 ERAP2 (0.42) KMT2AMEN1ERAP2LNPEPALDH1A1
SCHEMBL10199231 0.92 ERAP2 (0.42) KMT2AMEN1ERAP2LNPEPALDH1A1
SCHEMBL19944924 0.92 ERAP2 (0.42) KMT2AMEN1ERAP2LNPEPALDH1A1
SCHEMBL10199148 0.92 ERAP2 (0.42) KMT2AMEN1ERAP2LNPEPALDH1A1
SCHEMBL10261762 0.92 ERAP2 (0.42) KMT2AMEN1ERAP2LNPEPALDH1A1
SCHEMBL19944718 0.91 ERAP2 (0.41) KMT2AMEN1ERAP2LNPEPALDH1A1
SCHEMBL13978373 0.89 ERAP2 (0.40) KMT2AMEN1ERAP2LNPEPERAP1
SCHEMBL13973855 0.88 ERAP2 (0.39) KMT2AMEN1ERAP2LNPEPERAP1

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-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 — — US disclosed
US-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 — — US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 — — US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 — — 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 (2 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-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 KMT2A 2097/4885MEN1 4510/4885ERAP2 1201/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 KMT2A 2097/4885MEN1 4510/4885ERAP2 1201/4885

“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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