SCHEMBL14259587

SCHEMBL14259587

Cc1ccc2nc(-c3ccc(-c4nc5c(C)cccc5[nH]4)o3)n(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
MGAM O43451 14/20 0.41
GAA P10253 14/20 0.41
SI P14410 14/20 0.41
MGAM2 Q2M2H8 14/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL14259591 0.83 ALDH1A1 (0.42) GAANPC1ALDH1A1PKMRAB9A
SCHEMBL14259589 0.83 NPC1 (0.49) ESR1MGAMGAASIMGAM2
SCHEMBL3140429 0.79 MGAM (0.59) ESR1MGAMGAASIMGAM2
SCHEMBL14259590 0.74 NPC1 (0.45) ESR1MGAMGAASIMGAM2
SCHEMBL1170892 0.68 MGAM (0.71) ESR1MGAMGAASIMGAM2
SCHEMBL7040235 0.66 MGAM (0.52) MGAMGAASIMGAM2NPC1
SCHEMBL6056826 0.66 MGAM (0.77) ESR1MGAMGAASIMGAM2
SCHEMBL3140425 0.65 ALDH1A1 (0.84) GAANPC1ALDH1A1PKMRAB9A
SCHEMBL6663139 0.65 MGAM (0.55) ESR1MGAMGAASIMGAM2
SCHEMBL15319142 0.65 ESR1 (0.59) ESR1MGAMGAASIMGAM2

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-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 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-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE ESR1 2104/4885MGAM 1063/4885GAA 900/4885

“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.