SCHEMBL2178959

SCHEMBL2178959

N#Cc1ccc([C](c2ccccc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
GSK3B P49841 2/20 0.43
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
P4HB P07237 1/20 0.41
CYP19A1 P11511 1/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL2179897 0.90 TSHR (0.59) MAOBMAOATSHRALDH1A1L3MBTL1
SCHEMBL9669685 0.83 ALDH1A1 (0.53) ALDH1A1MAPTCA2CA1KMT2A
SCHEMBL4078022 0.81 CA2 (0.58) MAOBMAOATSHRALDH1A1LMNA
SCHEMBL154636 0.78
Water SCHEMBL27994834 0.78 MAOB (0.73) MAOBMAOATSHRALDH1A1GSK3B
Benzoic Acid SCHEMBL4232492 0.77 MAP4K4 (0.47) TSHRALDH1A1L3MBTL1LMNAMAPT
SCHEMBL23456757 0.77 TSHR (0.59) MAOBMAOATSHRALDH1A1L3MBTL1
SCHEMBL21783611 0.77 TSHR (0.59) MAOBMAOATSHRALDH1A1L3MBTL1
SCHEMBL21783604 0.77 TSHR (0.59) MAOBMAOATSHRALDH1A1L3MBTL1
SCHEMBL21783558 0.77 TSHR (0.59) MAOBMAOATSHRALDH1A1L3MBTL1

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-20130172529-A1 METHOD FOR SYNTHESIZING THYMOSINS BCN PEPTIDES S.A. (ES) 2013-07-04 US disclosed
EP-2019118-B1 METHOD FOR SYNTHESIZING THYMOSINS BCN PEPTIDES SA (ES) 2012-11-07 EP disclosed
US-20110166071-A1 METHOD FOR SYNTHESIZING THYMOSINS BCN PEPTIDES S.A. (ES) 2011-07-07 US disclosed
EP-2019118-A1 METHOD FOR SYNTHESIZING THYMOSINS BCN Peptides, S.A. (ES) 2009-01-28 EP 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-20110166071-A1 METHOD FOR SYNTHESIZING THYMOSINS PTMS, PTMA, VIP MAOB 3975/4885MAOA 3539/4885TSHR 152/4885
US-20130172529-A1 METHOD FOR SYNTHESIZING THYMOSINS PTMS, PTMA, VIP MAOB 3975/4885MAOA 3539/4885TSHR 152/4885

“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.