SCHEMBL23565852

SCHEMBL23565852

CCC(C)c1cccnc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
NISCH Q9Y2I1 1/20 0.39
HTT P42858 2/20 0.38
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.34
PDE1A P54750 3/20 0.33
PDE1B Q01064 3/20 0.33
PDE1C Q14123 3/20 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
SCHEMBL20621382 0.85 TRIM24 (0.35) TSHRTRIM24TRIM33ALDH1A1CYP2D6
SCHEMBL5700472 0.79 GABRA1 (0.43) TSHRNISCHHTTTRIM24TRIM33
SCHEMBL20818031 0.79 LMNA (0.39) TSHRTRIM24TRIM33ALDH1A1L3MBTL1
SCHEMBL30189447 0.79 TSHR (0.42) TSHRNISCHHTTALDH1A1L3MBTL1
SCHEMBL19058565 0.78 TSHR (0.48) TSHRNISCHHTTALDH1A1L3MBTL1
SCHEMBL26081362 0.78 TSHR (0.48) TSHRNISCHHTTALDH1A1L3MBTL1
SCHEMBL10134256 0.78 TSHR (0.48) TSHRNISCHHTTALDH1A1L3MBTL1
SCHEMBL12139672 0.78 TSHR (0.48) TSHRNISCHHTTALDH1A1L3MBTL1
SCHEMBL27865426 0.78 TRIM24 (0.41) TSHRHTTTRIM24TRIM33ALDH1A1
SCHEMBL22768184 0.77 TSHR (0.47) TSHRNISCHHTTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 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 (3 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-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 TSHR 3984/4885NISCH 4740/4885HTT 3216/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 TSHR 3938/4885NISCH 4658/4885HTT 3871/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 TSHR 3984/4885NISCH 4740/4885HTT 3216/4885

“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.