SCHEMBL18596269

SCHEMBL18596269

CC(C)(C)c1ccc2[nH]c(C(=O)OCc3ccccc3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP12 P39900 2/20 0.40
MMP1 P03956 1/20 0.40
ALKBH3 Q96Q83 1/20 0.39
MAPT P10636 1/20 0.39
STAT1 P42224 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL22479067 0.82 LMNA (0.43) RAF1BRAFRAB9ANPC1SMN1; SMN2
SCHEMBL22479069 0.82 AAK1 (0.46) RAF1BRAFRAB9ANPC1SMN1; SMN2
SCHEMBL20457559 0.81 RAF1 (0.42) RAF1BRAFRAB9ANPC1SMN1; SMN2
SCHEMBL21240753 0.81 DAGLA (0.54) RAB9ASMN1; SMN2MAPK1SLC6A2SLC6A3
SCHEMBL31024252 0.78 PIN1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23335990 0.74 KMT2A (0.44) RAB9ANPC1SLC6A2SLC6A3KMT2A
SCHEMBL31024256 0.74 SCN10A (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20173262 0.73 KMT2A (0.46) RAB9ANPC1SMN1; SMN2MAPK1SLC6A2
SCHEMBL4309965 0.72 EGLN1 (0.60)
SCHEMBL18320469 0.71 KMT2A (0.69) RAB9ANPC1SMN1; SMN2SLC6A2SLC6A3

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-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 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 (5 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS RAF1 3340/4885BRAF 3876/4885RAB9A 1535/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS RAF1 3340/4885BRAF 3876/4885RAB9A 1535/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS RAF1 3340/4885BRAF 3876/4885RAB9A 1535/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS RAF1 3340/4885BRAF 3876/4885RAB9A 1535/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS RAF1 3340/4885BRAF 3876/4885RAB9A 1535/4885

“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.