SCHEMBL14643045

SCHEMBL14643045

COC(=O)Nc1nc2ccc(C(O)c3ccccc3)cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.64
CYP1A2 P05177 6/20 0.64
HIF1A Q16665 5/20 0.64
ALDH1A1 P00352 3/20 0.64
KDR P35968 3/20 0.64
ABL1 P00519 2/20 0.64
CYP2C9 P11712 2/20 0.64
HTT P42858 2/20 0.64
ABCC4 O15439 1/20 0.64
USP2 O75604 1/20 0.64
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
NR1I2 O75469 1/20 0.63
MAPK14 Q16539 1/20 0.63
HPGD P15428 3/20 0.61
ADORA2A P29274 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP3A4 P08684 1/20 0.61
HSD17B10 Q99714 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.58

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
SCHEMBL3500745 1.00 LMNA (0.64) LMNACYP1A2HIF1AALDH1A1KDR
SCHEMBL30446693 0.92 LMNA (0.55) LMNACYP1A2HIF1AALDH1A1KDR
SCHEMBL3500740 0.91 LMNA (0.55) LMNACYP1A2HIF1AALDH1A1KDR
SCHEMBL29388129 0.89 KDR (0.68) LMNACYP1A2HIF1AALDH1A1KDR
SCHEMBL19375832 0.88 LMNA (0.64) LMNACYP1A2HIF1AALDH1A1KDR
SCHEMBL5062631 0.88 CHEK2 (0.51) LMNACYP1A2HIF1AALDH1A1KDR
SCHEMBL26075187 0.80 KDR (0.58) LMNACYP1A2HIF1AALDH1A1KDR
SCHEMBL26075190 0.80 KDR (0.58) LMNACYP1A2HIF1AALDH1A1KDR
Oxfendazole SCHEMBL9818561 0.79 LMNA (0.64) LMNACYP1A2HIF1AALDH1A1KDR
Oxfendazole SCHEMBL29351297 0.79 LMNA (0.64) LMNACYP1A2HIF1AALDH1A1KDR

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-9765037-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-09-19 US disclosed
US-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2013-01-17 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-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 LMNA 2757/4885CYP1A2 2974/4885HIF1A 2809/4885

“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.