SCHEMBL18120561

SCHEMBL18120561

Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 1.00
▸ KMT2A Q03164 7/20 0.67
▸ MEN1 O00255 6/20 0.67
▸ LMNA P02545 4/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ NPC1 O15118 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ PKM P14618 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ GAA P10253 1/20 0.57
▸ GLA P06280 1/20 0.55
▸ TSHR P16473 1/20 0.55

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
SCHEMBL18118631 0.80 DHODH (0.67) DHODHKMT2AMEN1NPC1ALDH1A1
SCHEMBL5223456 0.78 MEN1 (0.78) DHODHKMT2AMEN1ALDH1A1RAB9A
SCHEMBL30236587 0.78 MEN1 (0.78) DHODHKMT2AMEN1ALDH1A1RAB9A
SCHEMBL18585743 0.78 DHODH (0.64) DHODHKMT2AMEN1ALDH1A1RAB9A
SCHEMBL10520787 0.78 KMT2A (0.66) DHODHKMT2AMEN1LMNAL3MBTL1
SCHEMBL27602570 0.77 TSHR (0.68) DHODHKMT2AMEN1LMNAL3MBTL1
SCHEMBL31665319 0.77 KMT2A (0.66) DHODHKMT2AMEN1LMNAL3MBTL1
SCHEMBL3456470 0.77 NPC1 (1.00) DHODHKMT2AMEN1LMNAL3MBTL1
SCHEMBL7161734 0.76 KMT2A (0.63) DHODHKMT2AMEN1LMNAL3MBTL1
SCHEMBL5668753 0.75 P2RX1 (0.84) DHODHKMT2AMEN1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 — — 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-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH DHODH 1/4885KMT2A 1965/4885MEN1 4519/4885

“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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