SCHEMBL3261263

SCHEMBL3261263

O=C(O)C1(c2ccc(Nc3cc(-c4ccccc4)nc(N4CCS(=O)(=O)CC4)n3)cc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.46
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HRH1 P35367 2/20 0.40
HRH4 Q9H3N8 2/20 0.40
WNT3A P56704 1/20 0.39
GALR2 O43603 3/20 0.39
HTT P42858 2/20 0.39
GLA P06280 1/20 0.39
GALR1 P47211 1/20 0.39
AKR1C1 Q04828 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3421503 0.92 PIK3CA (0.44) PIK3CAKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL3221099 0.88 PIK3CA (0.61) PIK3CAHSD17B10HTTLMNAPOLB
SCHEMBL3220901 0.80 PIK3CA (0.46) PIK3CAKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL3220962 0.80 PIK3CA (0.58) PIK3CAKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL3228595 0.79 PIK3CA (0.46) PIK3CAKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL3230202 0.76 MAPT (0.48) KDM4EHPGDALDH1A1LMNA
SCHEMBL3227518 0.76 MAPT (0.48) AKR1C1LMNAPOLB
SCHEMBL3229102 0.75 ADORA3 (0.49) KDM4EHPGDALDH1A1
SCHEMBL3233798 0.75 VCP (0.43) AKR1C1RAB9ALMNAPOLB
SCHEMBL3227553 0.74 MAPT (0.41) HPGDALDH1A1AKR1C1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US claimed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 PIK3CA 2690/4885KDM4E 377/4885HPGD 3452/4885

“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.