SCHEMBL10112914

SCHEMBL10112914

COc1ccc(C(=O)NN)nc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.53
P2RX7 Q99572 2/20 0.50
CTSD P07339 1/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NOD2 Q9HC29 1/20 0.40
PKM P14618 1/20 0.40
HDAC3 O15379 1/20 0.38

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
SCHEMBL7107317 0.81 CTSA (0.47) CTSAMAPTALDH1A1GAAKDM4E
SCHEMBL10200957 0.80 KDM4E (0.47) CTSAMAPTALDH1A1GAAKDM4E
SCHEMBL7226508 0.80 KDM4E (0.66) CTSAALDH1A1KDM4EL3MBTL1CA1
SCHEMBL29750003 0.80 KDM4E (0.47) CTSAMAPTALDH1A1GAAKDM4E
SCHEMBL15595925 0.79 HPGDS (0.46) CTSAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL17513670 0.79 CTSA (0.47) CTSAMEN1KMT2A
SCHEMBL16517813 0.74 KDM4E (0.42) CTSAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL16533522 0.74 CTSA (0.44) CTSAALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL18013605 0.73 KDM4E (0.41) CTSAALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL15573657 0.73 KMT2A (0.54) MAPTALDH1A1KDM4EL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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 (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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 CTSA 622/4885P2RX7 3128/4885CTSD 125/4885
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 CTSA 480/4885P2RX7 3402/4885CTSD 92/4885

“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.