SCHEMBL1996095

SCHEMBL1996095

NC(=O)Cc1nn(C2CCN(C(=O)O)CC2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.42
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LCK P06239 1/20 0.38
CSK P41240 1/20 0.38
ZAP70 P43403 1/20 0.38
BTK Q06187 1/20 0.38
USP2 O75604 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37

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
SCHEMBL1989554 0.86 ADRA1A (0.47) PTGDR2ALDH1A1MEN1KMT2APARP1
SCHEMBL1992571 0.84 SMN1; SMN2 (0.48) PTGDR2ALDH1A1
SCHEMBL1990506 0.83 CHRM2 (0.47) BTK
SCHEMBL12564065 0.82 ABCB1 (0.43) PTGDR2ALDH1A1MEN1KMT2APARP1
Hydrochloric Acid SCHEMBL1991841 0.81 ABCB1 (0.43) PTGDR2ALDH1A1MEN1KMT2APARP1
SCHEMBL1993222 0.80 PTGDR2 (0.41) PTGDR2
SCHEMBL1993220 0.80 PTGDR2 (0.41) PTGDR2
SCHEMBL29129990 0.72 BTK (0.43) ALDH1A1MEN1KMT2ALCKCSK
SCHEMBL29129988 0.72 BTK (0.43) ALDH1A1MEN1KMT2ALCKCSK
SCHEMBL2002226 0.71 L3MBTL1 (0.50) ALDH1A1MEN1KMT2ABTKCNR2

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
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO PTGDR2 61/4885ALDH1A1 297/4885MEN1 427/4885

“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.