SCHEMBL2388121

SCHEMBL2388121

Cc1cc(C)n(-c2cc(N3CCN(c4ccccc4C=O)CC3)ccc2[N+](=O)[O-])n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.70
▸ EED O75530 2/20 0.63
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ MAPT P10636 7/20 0.59
▸ CYP2C19 P33261 4/20 0.59
▸ CYP2C9 P11712 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ ALDH1A1 P00352 6/20 0.58
▸ NPSR1 Q6W5P4 3/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ MAPK1 P28482 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ HTT P42858 1/20 0.46

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
SCHEMBL4905162 0.83 HTR6 (0.72) HTR6EEDMEN1KMT2AMAPT
SCHEMBL2485004 0.83 HTR6 (1.00) HTR6EEDMEN1KMT2AMAPT
SCHEMBL2390924 0.81 MAPT (0.67) MEN1KMT2AMAPTCYP2C19CYP2C9
SCHEMBL2388575 0.81 MAPT (0.69) MEN1KMT2AMAPTCYP2C19CYP2C9
SCHEMBL2482927 0.80 HTR6 (1.00) HTR6EEDMEN1KMT2AMAPT
SCHEMBL1844148 0.79 ALDH1A1 (0.81) HTR6EEDMEN1KMT2AMAPT
SCHEMBL2389705 0.77 MAPT (0.65) HTR6KMT2AMAPTCYP2C19CYP2C9
SCHEMBL2390044 0.76 EED (0.55) EEDMEN1KMT2AMAPTCYP2C19
SCHEMBL2483606 0.75 ALDH1A1 (0.69) HTR6EEDMEN1KMT2AMAPT
SCHEMBL1956516 0.75 KDM4E (0.54) MEN1KMT2AMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11568956-B2 Methods for identifying inhibitors of amyloid protein aggregation TREVENTIS CORPORATION (US) 2023-01-31 — — US disclosed
US-20190050526-A1 METHODS FOR IDENTIFYING INHIBITORS OF AMYLOID PROTEIN AGGREGATION TREVENTIS CORPORATION (US) 2019-02-14 — — US disclosed
US-20160283652-A1 METHODS FOR IDENTIFYING INHIBITORS OF AMYLOID PROTEIN AGGREGATION TREVENTIS CORPORATION (US) 2016-09-29 — — US disclosed
US-8420640-B2 Methods of treating amyloid disease using analogs of 1-(4-nitrophenyl) piperazine TREVENTIS CORPORATION (US) 2013-04-16 — — US disclosed
US-20110218200-A1 METHODS OF TREATING AMYLOID DISEASE USING ANALOGS OF 1-(4-NITROPHENYL) PIPERAZINE TREVENTIS CORPORATION 2011-09-08 — — 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-20110218200-A1 METHODS OF TREATING AMYLOID DISEASE USING ANALOGS OF 1-(4-NITROPHENYL) PIPERAZINE PSEN1, PSEN2, APP HTR6 1377/4885EED 4166/4885MEN1 2995/4885

“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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