Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL18151874

COC(=O)c1cc(I)ccc1N.N

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.60
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 6/20 0.60
MAPT P10636 4/20 0.60
HSD17B10 Q99714 3/20 0.60
HPGD P15428 3/20 0.60
TSHR P16473 3/20 0.60
ALOX15 P16050 1/20 0.60
CFTR P13569 3/20 0.55
GLA P06280 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
ABL1 P00519 1/20 0.49
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41

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
SCHEMBL140846 0.98 GAA (0.62) GAAALDH1A1KDM4EMAPTHSD17B10
Hydrochloric Acid SCHEMBL7101138 0.96 GAA (0.60) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL1184918 0.84 ALDH1A1 (0.66) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL15326189 0.81 CA12 (0.50) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL31585831 0.81 CA12 (0.50) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL3226426 0.80 BRAF (0.45) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL7529190 0.79 KDM4E (0.66) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL6168887 0.79 GAA (0.66) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL1277539 0.79 CA12 (0.44) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL6351877 0.79 GABRG2 (0.43) GAAALDH1A1KDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3285583-B1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2021-03-17 EP disclosed
EP-3285583-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF The Regents of The University of Michigan (US) 2018-02-28 EP disclosed
US-9884841-B2 Small molecule inhibitors of Mcl-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-06 US disclosed
WO-2016172218-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-27 WO disclosed
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 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-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, BCL2L11 GAA 1892/4885ALDH1A1 611/4885KDM4E 1423/4885

“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.