SCHEMBL2609073

SCHEMBL2609073

COC(=O)c1cc(Oc2ccc(OCc3ccccc3)cc2)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CTSV O60911 3/20 0.44
▸ CTSL P07711 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ AR P10275 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43

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
SCHEMBL31352860 0.89 CTSV (0.50) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL26113307 0.89 CTSV (0.50) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6361504 0.81 MEN1 (0.56) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL12763816 0.81 MEN1 (0.56) MEN1KMT2AMAPTLMNATDP1
SCHEMBL2063806 0.79 MEN1 (0.57) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL29444157 0.79 MEN1 (0.57) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1013111 0.79 MEN1 (0.57) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL26631729 0.79 ALDH1A1 (0.46) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11922562 0.78 CTSV (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL18660057 0.78 CTSV (0.50) MEN1KMT2AMAPTLMNAALDH1A1

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-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — 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-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E MEN1 4773/4885KMT2A 3647/4885MAPT 4179/4885

“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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