SCHEMBL19284366

SCHEMBL19284366

COC(=O)c1ccc(Br)n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
THRB P10828 1/20 0.53
AR P10275 2/20 0.50
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK8 P45983 2/20 0.47
GAA P10253 3/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL15997500 0.85 TSHR (0.56) MAPTALDH1A1TDP1GAAPKM
SCHEMBL19284385 0.78 AR (0.51) MAPTTHRBARALDH1A1TDP1
SCHEMBL16653009 0.75 MAPK8 (0.47) MAPTTHRBARALDH1A1TDP1
SCHEMBL16115854 0.74 ADRA1D (0.51) MAPTTHRBARALDH1A1TDP1
SCHEMBL7884326 0.74 KMT2A (0.72) MAPTTHRBKMT2A
SCHEMBL6466362 0.74 AR (0.69) MAPTARALDH1A1TDP1GAA
SCHEMBL17139970 0.74 NOD2 (0.57) MAPTALDH1A1TDP1GAAKDM4E
SCHEMBL12556339 0.73 KMT2A (0.50) MAPTALDH1A1TDP1GAAKDM4E
SCHEMBL182807 0.73 MAPK8 (0.57) MAPTTHRBARALDH1A1TDP1
SCHEMBL23174424 0.73 TSHR (0.62) MAPTALDH1A1TDP1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897866-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2024-02-13 US disclosed
US-20220081418-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-03-17 US disclosed
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
CN-109071497-B PAD4 heteroaryl inhibitors 帕德罗科治疗公司 2021-10-22 CN disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 US disclosed
EP-3419969-A1 HETEROARYL INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2019-01-02 EP disclosed
WO-2017147102-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-08-31 WO 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 (4 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 MAPT 3883/4885THRB 3538/4885AR 3760/4885
US-11897866-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 MAPT 3883/4885THRB 3538/4885AR 3760/4885
US-20220081418-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 MAPT 3883/4885THRB 3538/4885AR 3760/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 MAPT 3883/4885THRB 3538/4885AR 3760/4885

“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.