SCHEMBL13886594

SCHEMBL13886594

NCCc1ccc(Oc2cc(I)c(O)c(I)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.57
▸ TAAR5 O14804 1/20 0.57
▸ ST14 Q9Y5Y6 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MAOB P27338 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ APEX1 P27695 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ADRB2 P07550 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ ALOX15 P16050 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
SCHEMBL22311194 0.86 ST14 (0.66) TAAR1TAAR5ST14CYP1A2CYP3A4
SCHEMBL13886595 0.85 TAAR1 (0.56) TAAR1TAAR5CYP1A2TSHRKDM4E
SCHEMBL13886593 0.83 TAAR1 (0.74) TAAR1TAAR5CYP1A2CYP3A4TSHR
SCHEMBL22311203 0.81 PPARG (0.45) TAAR1TAAR5ST14CYP1A2CYP3A4
SCHEMBL13886596 0.80 THRB (0.60) TAAR1TAAR5CYP1A2CYP3A4ALDH1A1
SCHEMBL6311979 0.80 TAAR1 (0.67) TAAR1ST14CYP1A2MAOBKDM4E
SCHEMBL17874460 0.80 FFAR1 (0.64) MAPK1HIF1ATDP1L3MBTL1MEN1
SCHEMBL14230053 0.80 PPARG (0.39) TAAR1TAAR5ST14ALOX15MEN1
Thyronamine SCHEMBL449823 0.78 TAAR1 (0.75) TAAR1TAAR5MAOBKDM4EALDH1A1
SCHEMBL14616573 0.76 MEN1 (0.61) TAAR1TAAR5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 — — US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 — — US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 — — US disclosed
US-7339079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-04 — — US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 — — US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 — — 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-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF TPO, TSHR, THRB TAAR1 198/4885TAAR5 30/4885ST14 3139/4885

“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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