SCHEMBL4874515

SCHEMBL4874515

NNC(=O)CCC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
KMT2A Q03164 6/20 0.64
ALDH1A1 P00352 5/20 0.64
MEN1 O00255 5/20 0.64
MAPT P10636 4/20 0.64
HSD17B10 Q99714 1/20 0.64
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
IDO1 P14902 1/20 0.57
KCNJ5 P48544 1/20 0.56
KCNJ3 P48549 1/20 0.56
POLB P06746 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
EPHX2 P34913 1/20 0.54
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53

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
SCHEMBL9373685 0.83 KMT2A (0.62) KMT2AALDH1A1MEN1MAPTHSD17B10
SCHEMBL9373098 0.83 KMT2A (0.62) KMT2AALDH1A1MEN1MAPTHSD17B10
SCHEMBL5141417 0.83 MEN1 (0.71) KMT2AALDH1A1MEN1MAPTHSD17B10
SCHEMBL8278749 0.82 F2R (0.65) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL4873093 0.81 MEN1 (0.65) KMT2AALDH1A1MEN1MAPTHSD17B10
Hydrochloric Acid SCHEMBL2472969 0.80 MEN1 (0.63) KMT2AALDH1A1MEN1MAPTHSD17B10
SCHEMBL18530322 0.80 MEN1 (0.68) L3MBTL1KMT2AALDH1A1MEN1MAPT
SCHEMBL7646371 0.80 MEN1 (0.67) KMT2AALDH1A1MEN1MAPTHSD17B10
SCHEMBL3076869 0.80 KMT2A (0.79) L3MBTL1KMT2AALDH1A1MEN1MAPT
SCHEMBL4004381 0.80 MEN1 (0.67) KMT2AALDH1A1MEN1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
EP-1581222-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-&bgr; MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP disclosed
US-20040157861-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. 2004-08-12 US disclosed
WO-2004060362-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-22 WO disclosed
WO-2004060362-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-22 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-20040157861-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFB2, TGFBR1 L3MBTL1 1656/4885KMT2A 4237/4885ALDH1A1 2263/4885

“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.