SCHEMBL3304786

SCHEMBL3304786

O=[C]NCc1cc(Cl)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
TP53 P04637 1/20 0.39
DBH P09172 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR2A P28223 2/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 2/20 0.39
HDAC3 O15379 1/20 0.38
IDO1 P14902 2/20 0.36
CYP3A4 P08684 2/20 0.36
SLC22A1 O15245 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HSPD1 P10809 1/20 0.36
HSPA5 P11021 1/20 0.36

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
SCHEMBL5210365 0.86 IDO1 (0.48) MEN1KMT2AALDH1A1IDO1CYP3A4
SCHEMBL28915610 0.82 P2RX7 (0.39) P2RX7TP53DBHMEN1KMT2A
SCHEMBL25320706 0.79 HTR2A (0.42) P2RX7TP53MEN1KMT2AALDH1A1
SCHEMBL514206 0.78 NPC1 (0.55) TP53MEN1KMT2APOLBALDH1A1
SCHEMBL8221733 0.75 ALDH1A1 (0.46) P2RX7TP53DBHMEN1KMT2A
SCHEMBL3483104 0.75 SLC6A4 (0.58) HTR2ASLC6A4KCNH2
SCHEMBL6582712 0.75 CYP3A4 (0.43) P2RX7TP53DBHMEN1KMT2A
SCHEMBL1758815 0.75 TP53 (0.42) TP53DBHMEN1KMT2APOLB
SCHEMBL351321 0.74 ADH1B (0.39) P2RX7TP53DBHMEN1KMT2A
Hydrochloric Acid SCHEMBL31429947 0.73 ALDH1A1 (0.44) P2RX7TP53DBHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 EP 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 P2RX7 2130/4885TP53 3351/4885DBH 3252/4885

“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.