SCHEMBL29978740

SCHEMBL29978740

Nc1cccc(Cl)c1N1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.46
PTPN11 Q06124 1/20 0.46
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
CYP3A4 P08684 1/20 0.39
WEE1 P30291 2/20 0.38
SMPD3 Q9NY59 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 2/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
LRRK2 Q5S007 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NR4A2 P43354 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36

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
SCHEMBL23043567 1.00 NOTUM (0.46) NOTUMPTPN11SMARCA2SMARCA4PBRM1
SCHEMBL29978530 0.83 MEN1 (0.56) NOTUMGAAMEN1KMT2AUSP2
SCHEMBL23043670 0.83 MEN1 (0.56) NOTUMGAAMEN1KMT2AUSP2
SCHEMBL22662669 0.80 KEAP1 (0.47) GAATSHRALDH1A1NR4A2
SCHEMBL29512655 0.80 DRD3 (0.41) NOTUMPTPN11CYP3A4GAAMEN1
SCHEMBL29931924 0.79 KEAP1 (0.50) TSHRALDH1A1NR4A2
SCHEMBL5092052 0.79 KEAP1 (0.50) TSHRALDH1A1NR4A2
SCHEMBL29512812 0.78 L3MBTL3 (0.47) GAALRRK2ALDH1A1
SCHEMBL28559302 0.78 NOTUM (0.46) NOTUMCYP3A4GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL23043631 0.77 KEAP1 (0.48) GAAMEN1KMT2AUSP2TSHR

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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES 2022-10-06 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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF MCOLN1, MCOLN2, MCOLN3 NOTUM 4505/4885PTPN11 3727/4885SMARCA2 2089/4885

“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.