SCHEMBL20047553

SCHEMBL20047553

CC(C)(C)c1nc(C(C)(C)I)no1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.33
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL23455299 0.86 PIK3CG (0.40) PIK3CG
SCHEMBL78067 0.83 PIK3CG (0.43) PIK3CGHPGDKDM4EALDH1A1LMNA
SCHEMBL12251571 0.77 PIK3CG (0.33) PIK3CGHPGDKDM4EALDH1A1LMNA
SCHEMBL18468385 0.77 CNR2 (0.37) PIK3CGHPGDKDM4EALDH1A1LMNA
SCHEMBL20464256 0.77 PIK3CG (0.33) PIK3CGHPGDKDM4EALDH1A1LMNA
SCHEMBL13618720 0.77 PIK3CG (0.40) PIK3CG
SCHEMBL11205977 0.74 PIK3CG (0.38) PIK3CG
SCHEMBL21784145 0.74 PIK3CG (0.31) PIK3CGHPGDKDM4EALDH1A1LMNA
SCHEMBL21339765 0.71 KDM4E (0.30) HPGDKDM4EALDH1A1LMNATSHR
SCHEMBL21784191 0.71 PIK3CG (0.32) PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163485-A1 Heterocyclic Compounds for the Treatment of Disease OPPILAN PHARMA LTD (GB) 2021-06-03 US disclosed
US-20200325135-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE OPPILAN PHARMA LTD (GB) 2020-10-15 US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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 (4 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 PIK3CG 3417/4885HPGD 651/4885KDM4E 4232/4885
US-20200325135-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, FH, TPMT PIK3CG 4011/4885HPGD 118/4885KDM4E 3643/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 PIK3CG 3417/4885HPGD 651/4885KDM4E 4232/4885
US-20210163485-A1 Heterocyclic Compounds for the Treatment of Disease VHL, FH, TPMT PIK3CG 3915/4885HPGD 111/4885KDM4E 3499/4885

“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.