SCHEMBL21164751

SCHEMBL21164751

CC(C)(C)c1ncnc2sc3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX1 Q96LB2 7/20 0.37
▸ LIMK1 P53667 2/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ GPR3 P46089 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ EGFR P00533 3/20 0.33

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
SCHEMBL17109971 0.78 LIMK1 (0.40) MRGPRX1LIMK1CDK5CDK5R1GPR3
SCHEMBL24627146 0.76 ELANE (0.41) GPR3ELANEMEN1ALDH1A1KMT2A
SCHEMBL19162623 0.76 ELANE (0.41) GPR3ELANEMEN1ALDH1A1KMT2A
SCHEMBL25016632 0.75 ELANE (0.40) GPR3ELANEMEN1ALDH1A1KMT2A
SCHEMBL12903904 0.75 LIMK1 (0.40) LIMK1CDK5CDK5R1GPR3ELANE
SCHEMBL924654 0.75 LIMK1 (0.56) LIMK1CDK5CDK5R1GPR3ALDH1A1
SCHEMBL7216257 0.75 PDE4A (0.44) LIMK1CDK5CDK5R1GPR3ELANE
SCHEMBL14090701 0.74 LIMK1 (0.59) LIMK1CDK5CDK5R1RXFP1HRH4
SCHEMBL18177882 0.74 GPR3 (0.41) LIMK1CDK5CDK5R1GPR3ELANE
SCHEMBL19161279 0.73 ATM (0.39) ELANEMEN1ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 — — US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 — — 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-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 MRGPRX1 4216/4885LIMK1 3309/4885CDK5 1090/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 MRGPRX1 4216/4885LIMK1 3309/4885CDK5 1090/4885

“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.

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