SCHEMBL10144734

SCHEMBL10144734

CCCCOc1ccccc1NC(=O)c1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.59
AKR1C1 Q04828 2/20 0.59
POLB P06746 2/20 0.58
TSHR P16473 2/20 0.58
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KMT2A Q03164 3/20 0.55
THRB P10828 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.53
LMNA P02545 1/20 0.52
OGG1 O15527 1/20 0.51
AHR P35869 1/20 0.51
CREBBP Q92793 1/20 0.51
PTPN1 P18031 1/20 0.51
AKR1C3 P42330 1/20 0.51

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
SCHEMBL6926037 0.86 TSHR (0.55) POLBTSHRGAASMN1; SMN2KMT2A
SCHEMBL3558076 0.85 SMN1; SMN2 (0.56) AKR1C2AKR1C1TSHRGAASMN1; SMN2
SCHEMBL6922307 0.84 MCHR1 (0.54) POLBTSHRGAASMN1; SMN2KMT2A
SCHEMBL8970331 0.83 MAPT (0.65) POLBGAAKMT2ANPC1RAB9A
SCHEMBL5182550 0.79 RAB9A (0.54) POLBTSHRGAASMN1; SMN2KMT2A
SCHEMBL12189597 0.78 MAPT (0.66) TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL6838359 0.77 KMT2A (0.68) POLBTSHRGAASMN1; SMN2KMT2A
SCHEMBL7956544 0.77 KMT2A (0.72) POLBTSHRGAASMN1; SMN2KMT2A
SCHEMBL12189684 0.77 NR1H4 (0.65) AKR1C2AKR1C1SMN1; SMN2KMT2ATHRB
SCHEMBL38660188 0.76 LMNA (0.66) TSHRSMN1; SMN2RAB9ALMNAAKR1C3

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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 AKR1C2 2332/4885AKR1C1 2276/4885POLB 2362/4885

“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.