SCHEMBL10692221

SCHEMBL10692221

CCN(CC)C(=O)c1ccc(Cl)c(N)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.64
HSP90AB1 P08238 5/20 0.64
TSHR P16473 1/20 0.57
HPGD P15428 8/20 0.51
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 1/20 0.49
BLM P54132 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MLYCD O95822 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL11700283 0.87 HSP90AA1 (0.69) HSP90AA1HSP90AB1TSHRHPGDTDP1
SCHEMBL10696015 0.84 TSHR (0.68) HSP90AA1HSP90AB1TSHRHPGDKDM4E
SCHEMBL2952990 0.84 HSP90AA1 (0.57) HSP90AA1HSP90AB1TSHRHPGDTDP1
SCHEMBL31621299 0.84 HSP90AA1 (0.57) HSP90AA1HSP90AB1TSHRHPGDTDP1
SCHEMBL11819690 0.84 TSHR (0.77) HSP90AA1HSP90AB1TSHRHPGDTDP1
SCHEMBL10156527 0.81 HPGD (0.66) HSP90AA1HSP90AB1TSHRHPGDTDP1
SCHEMBL11827099 0.81 HSP90AA1 (0.68) HSP90AA1HSP90AB1TSHRHPGDTDP1
SCHEMBL14426602 0.81 HSP90AA1 (0.66) HSP90AA1HSP90AB1TSHRHPGDTDP1
SCHEMBL10318165 0.81 KDM4E (0.50) TSHRHPGDKDM4EALDH1A1LMNA
SCHEMBL8718717 0.79 HSP90AA1 (0.51) HSP90AA1HSP90AB1TSHRHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2017-08-03 US claimed
WO-2015195684-A2 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2015-12-23 WO claimed
US-10548911-B2 Small molecule anti-scarring agents UNIVERSITY OF ROCHESTER (US) 2020-02-04 US disclosed
US-10548911-B2 Small molecule anti-scarring agents UNIVERSITY OF ROCHESTER (US) 2020-02-04 US disclosed
US-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2017-08-03 US disclosed
US-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2017-08-03 US disclosed
US-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2017-08-03 US disclosed
WO-2015195684-A2 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2015-12-23 WO disclosed
WO-2015195684-A2 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2015-12-23 WO disclosed
US-4754024-A Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups CIBA-GEIGY CORPORATION 1988-06-28 US disclosed
US-4031073-A Monoazo pigments containing barbituric acid or thio- or imino-derivatives thereof CIBA-GEIGY CORPORATION (US) 1977-06-21 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 (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-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS COLGALT1, MMP1, FIBP HSP90AA1 156/4885HSP90AB1 63/4885TSHR 4063/4885
US-10548911-B2 Small molecule anti-scarring agents COLGALT1, MMP1, FIBP HSP90AA1 156/4885HSP90AB1 63/4885TSHR 4063/4885

“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.