SCHEMBL22801064

SCHEMBL22801064

CC(=O)c1cc(Br)cc(N2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
ATM Q13315 1/20 0.49
PRKDC P78527 1/20 0.49
KMO O15229 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
GSK3B P49841 1/20 0.45
POLB P06746 1/20 0.45
AKR1C3 P42330 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL30099106 0.84 KMO (0.48) MAPTPRKDCKMOALDH1A1KDM4E
SCHEMBL31705812 0.84 ALDH1A1 (0.50) MAPTPRKDCKMOALDH1A1KDM4E
SCHEMBL6629680 0.81 MAPT (0.49) MAPTATMPRKDCKMOALDH1A1
SCHEMBL24270121 0.79 KDM4E (0.50) MAPTPRKDCKMOALDH1A1KDM4E
SCHEMBL11963589 0.79 MAPT (0.54) MAPTATMPRKDCKMOALDH1A1
SCHEMBL1189467 0.78 MAPT (0.46) MAPTATMPRKDCKMOALDH1A1
SCHEMBL334850 0.76 MAPT (0.74) MAPTATMPRKDCALDH1A1KDM4E
SCHEMBL13724478 0.76 KMO (0.74) MAPTATMPRKDCKMOALDH1A1
SCHEMBL2711308 0.75 PRKDC (0.48) MAPTPRKDCKDM4EAKR1C3LMNA
Ammonia Solution, Strong SCHEMBL7025659 0.75 MAPT (0.72) MAPTATMPRKDCALDH1A1KDM4E

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-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS NATIONAL INSTITUTES OF HEALTH 2020-12-24 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-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS MAVS, ZC3HAV1, EIF2AK2 MAPT 347/4885ATM 4295/4885PRKDC 2950/4885

“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.