SCHEMBL30401006

SCHEMBL30401006

COc1cnc(-c2ccc3oc(-c4cccnc4)nc3c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
KDM4E B2RXH2 11/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 7/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 6/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 4/20 0.49
TP53 P04637 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL17544431 1.00 TSHR (0.57) TSHRKDM4ENPC1RAB9ACYP1A2
SCHEMBL25624693 0.86 KDM4E (0.57) TSHRKDM4ENPC1RAB9ACYP1A2
SCHEMBL17544543 0.85 KDM4E (0.56) TSHRKDM4ENPC1RAB9ACYP1A2
SCHEMBL29681157 0.85 KDM4E (0.56) TSHRKDM4ENPC1RAB9ACYP1A2
SCHEMBL17544414 0.84 MAPT (0.57) TSHRKDM4ENPC1RAB9ACYP1A2
SCHEMBL30403148 0.84 MAPT (0.57) TSHRKDM4ENPC1RAB9ACYP1A2
SCHEMBL17544498 0.83 KDM4E (0.58) TSHRKDM4ENPC1RAB9ACYP1A2
SCHEMBL30401050 0.83 KDM4E (0.58) TSHRKDM4ENPC1RAB9ACYP1A2
SCHEMBL17544384 0.81 KDM4E (0.58) TSHRKDM4ENPC1RAB9ACYP1A2
SCHEMBL29680845 0.81 KDM4E (0.58) TSHRKDM4ENPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258355-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2025-03-25 US disclosed
CN-116655618-A Probes for imaging huntingtin CHDI基金会股份有限公司 2023-08-29 CN disclosed
US-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2023-07-06 US disclosed
CN-107108534-B Probes for imaging huntingtin CHDI基金会股份有限公司 2023-05-09 CN 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 (2 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-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 TSHR 3168/4885KDM4E 4585/4885NPC1 163/4885
US-12258355-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 TSHR 3168/4885KDM4E 4585/4885NPC1 163/4885

“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.