SCHEMBL3764113

SCHEMBL3764113

O=C(O)NCC(I)COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 1/20 0.46
▸ CA1 P00915 4/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA7 P43166 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ FOLH1 Q04609 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ TACR1 P25103 2/20 0.41

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
SCHEMBL18739984 0.83 CA1 (0.58) SLC1A1CA1CA2CA7CA9
SCHEMBL4976082 0.83 CA1 (0.58) SLC1A1CA1CA2CA7CA9
SCHEMBL19774557 0.79 TSHR (0.61) SLC1A1CA1CA2CA7CA9
SCHEMBL18163746 0.75 SLC1A1 (0.55) SLC1A1CA1CA2CA7CA9
SCHEMBL10627496 0.74 TSHR (0.54) SMN1; SMN2HTTTSHRLMNAALDH1A1
SCHEMBL26645664 0.74 SMN1; SMN2 (0.50) CA1CA2CA7CA9SMN1; SMN2
SCHEMBL16758733 0.73 FOLH1 (0.51) SLC1A1CA1CA2CA7CA9
SCHEMBL18163688 0.73 ALDH1A1 (0.47) SLC1A1CA1CA2CA7CA9
SCHEMBL14924517 0.73 TSHR (0.52) SLC1A1CA1CA2CA7CA9
SCHEMBL3507461 0.73 SMN1; SMN2 (0.52) SLC1A1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-09 — — US disclosed
EP-1989203-A2 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-11-12 — — EP disclosed
WO-2007097981-A2 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-30 — — WO 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-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF CHRM1, CNR1, CXCR1 SLC1A1 2146/4885CA1 1639/4885CA2 1472/4885

“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.

Send feedback