Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL2441744

Cc1ccc(OC(F)F)cc1.N

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
POLB P06746 2/20 0.49
ACHE P22303 2/20 0.46
DRD1 P21728 1/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CCR6 P51684 1/20 0.44
ATM Q13315 1/20 0.44
ALOX15 P16050 1/20 0.44
GFER P55789 1/20 0.44
ADAM17 P78536 1/20 0.44
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL256789 0.97 LMNA (0.50) LMNAPOLBACHEDRD1CYP3A4
SCHEMBL9060628 0.91 DRD1 (0.57) LMNAPOLBACHEDRD1CYP3A4
SCHEMBL9060995 0.85 ACACB (0.49) LMNAPOLBACHEDRD1CYP3A4
SCHEMBL11065049 0.84 DRD1 (0.56) LMNADRD1ALDH1A1MEN1KMT2A
SCHEMBL10979017 0.82 GAA (0.59) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL7789028 0.80 NPC1 (0.61) LMNAPOLBDRD1CYP3A4TSHR
SCHEMBL7789023 0.80 NPC1 (0.61) LMNAPOLBDRD1CYP3A4TSHR
SCHEMBL9060624 0.80 LMNA (0.50) LMNAPOLBDRD1ALDH1A1MAPT
SCHEMBL14865164 0.80 ACHE (0.46) LMNAPOLBACHECYP3A4TSHR
SCHEMBL21868803 0.78 ACHE (0.44) LMNAPOLBACHECYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP LMNA 2685/4885POLB 573/4885ACHE 3752/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H LMNA 3947/4885POLB 28/4885ACHE 3969/4885

“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.