SCHEMBL13167004

SCHEMBL13167004

O=C(Nc1ccccc1N1CCCC1)c1ccc(Br)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 1.00
▸ MAPK10 P53779 3/20 1.00
▸ GAA P10253 3/20 1.00
▸ HTT P42858 3/20 1.00
▸ L3MBTL1 Q9Y468 1/20 1.00
▸ CSF1R P07333 6/20 0.97
▸ TSHR P16473 2/20 0.81
▸ HPGD P15428 2/20 0.81
▸ MAPK1 P28482 2/20 0.80
▸ HSD17B10 Q99714 2/20 0.80
▸ POLB P06746 3/20 0.76
▸ ATM Q13315 3/20 0.76
▸ CYP1A2 P05177 2/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ CYP2C19 P33261 2/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ CYP2D6 P10635 1/20 0.73
▸ KMT2A Q03164 1/20 0.66
▸ MAPT P10636 5/20 0.65
▸ NPC1 O15118 3/20 0.65

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
SCHEMBL13147762 0.99 CSF1R (1.00) ALDH1A1MAPK10GAAHTTL3MBTL1
SCHEMBL13148069 0.86 CSF1R (1.00) ALDH1A1MAPK10GAAHTTL3MBTL1
SCHEMBL3081171 0.84 CSF1R (0.75) ALDH1A1MAPK10GAAHTTL3MBTL1
SCHEMBL28379784 0.83 MAPK10 (0.74) ALDH1A1MAPK10GAAHTTL3MBTL1
SCHEMBL13147771 0.81 HPGD (0.83) ALDH1A1MAPK10GAAHTTL3MBTL1
SCHEMBL13148088 0.81 CSF1R (1.00) ALDH1A1MAPK10GAAHTTL3MBTL1
SCHEMBL13147776 0.81 CSF1R (1.00) ALDH1A1MAPK10GAAHTTL3MBTL1
SCHEMBL20623367 0.80 CYP1A2 (0.69) ALDH1A1MAPK10GAAHTTL3MBTL1
SCHEMBL13148038 0.79 CSF1R (1.00) ALDH1A1GAAHTTCSF1RMAPK1
SCHEMBL5093277 0.79 CSF1R (1.00) ALDH1A1GAAHTTCSF1RMAPK1

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-20100248365-A1 GANGLIOSIDE BIOSYNTHESIS MODULATORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-09-30 — — 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-20100248365-A1 GANGLIOSIDE BIOSYNTHESIS MODULATORS UGCG, MAGT1, STT3B ALDH1A1 2578/4885MAPK10 1118/4885GAA 52/4885

“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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