SCHEMBL25791602

SCHEMBL25791602

COCc1cccnc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALOX12 P18054 2/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CCR9 P51686 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRA1A P35348 2/20 0.35
GAA P10253 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL10361549 0.81
SCHEMBL2631316 0.79 GABRA1 (0.41) KDM4ENPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL28965588 0.77 DPP4 (0.42) KDM4ECCR9MAPTKMT2ACYP1A2
SCHEMBL15830967 0.77 KMT2A (0.44) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL23336073 0.75 LMNA (0.39) KDM4ERAB9ASMN1; SMN2MAPTTDP1
SCHEMBL18470989 0.75 SLC13A5 (0.34) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL14615243 0.75 KDM4E (0.49) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL17549762 0.74 CYP2A6 (0.42) ALOX15LMNACYP2D6CYP2C19
SCHEMBL26541056 0.74 SLC13A5 (0.35) KDM4EHTTNPC1RAB9ASMN1; SMN2
SCHEMBL2043880 0.73 KDM4E (0.56) KDM4EALOX12HTTNPC1RAB9A

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-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 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-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, USP8, USP7 KDM4E 679/4885ALOX12 4839/4885HTT 3430/4885

“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.