SCHEMBL27213624

SCHEMBL27213624

CCCCOc1nc(CBr)c(NC(=O)O)c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
USP2 O75604 2/20 0.37
CYP2C9 P11712 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
APAF1 O14727 1/20 0.36
NR1I2 O75469 1/20 0.36
HSP90AA1 P07900 1/20 0.36
IDE P14735 1/20 0.36
UBE2N P61088 1/20 0.36
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PLA2G2A P14555 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL27213633 0.92 USP2 (0.38) ALOX5USP2CYP2C9LMNACYP1A2
SCHEMBL29977578 0.88 ATR (0.37) ALOX5USP2CYP2C9LMNACYP1A2
SCHEMBL24732682 0.88 ATR (0.37) ALOX5USP2CYP2C9LMNACYP1A2
SCHEMBL27213599 0.86 MEN1 (0.41) LMNATSHRKDM4EALDH1A1
SCHEMBL28802743 0.82 USP2 (0.37) ALOX5USP2CYP2C9LMNACYP1A2
SCHEMBL27213627 0.81 SMN1; SMN2 (0.40) USP2LMNATSHRKDM4EASPH
SCHEMBL30947339 0.80 ATR (0.36) USP2CYP2C9LMNACYP1A2CYP2D6
SCHEMBL24732687 0.80 ATR (0.36) USP2CYP2C9LMNACYP1A2CYP2D6
SCHEMBL27213626 0.79 POLB (0.40) CYP2D6MAPT
SCHEMBL27213622 0.79 MEN1 (0.38) TSHRGAA

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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-05-09 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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF TLR7, TLR1, TLR8 ALOX5 1029/4885USP2 4109/4885CYP2C9 1542/4885

“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.