SCHEMBL3568729

SCHEMBL3568729

COc1cccc(C(N)CO)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
IDO1 P14902 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
TLR2 O60603 1/20 0.42
ERN1 O75460 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
PDCD1LG2 Q9BQ51 1/20 0.42

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
SCHEMBL9201350 0.86 KDM4E (0.50) KDM4EMAPTHPGDALOX15HSD17B10
SCHEMBL1439388 0.85 AGTR1 (0.49) LMNAALDH1A1TP53IDO1PDCD1LG2
SCHEMBL15797722 0.85 AGTR1 (0.49) LMNAALDH1A1TP53IDO1PDCD1LG2
SCHEMBL1439383 0.85 AGTR1 (0.49) LMNAALDH1A1TP53IDO1PDCD1LG2
SCHEMBL7146779 0.85 ALDH1A1 (0.42) KDM4EMAPTHPGDALOX15HSD17B10
Hydrochloric Acid SCHEMBL18151435 0.84 IDO1 (0.47) MAPTLMNAALDH1A1TP53IDO1
Hydrochloric Acid SCHEMBL22502394 0.84 IDO1 (0.47) MAPTLMNAALDH1A1TP53IDO1
Hydrochloric Acid SCHEMBL18151438 0.84 IDO1 (0.47) MAPTLMNAALDH1A1TP53IDO1
SCHEMBL18793791 0.81 PDCD1LG2 (0.41) KDM4EMAPTHPGDALOX15HSD17B10
SCHEMBL14408244 0.81 CYP2D6 (0.48) KDM4EMAPTHPGDALOX15HSD17B10

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-7745450-B2 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy INSTITUTE OF EXPERIMENTAL BOTANY (CZ) 2010-06-29 US disclosed
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF 2005-04-14 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-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy CBR3, DHFR, AKR1C3 KDM4E 4054/4885MAPT 4718/4885HPGD 1005/4885

“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.