SCHEMBL22275552

SCHEMBL22275552

CCCCCc1ccc(-c2ncc(C)c(C)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 4/20 0.60
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HSD17B10 Q99714 2/20 0.60
USP2 O75604 1/20 0.60
GAA P10253 1/20 0.60
HPGD P15428 1/20 0.60
RARB P10826 7/20 0.49
HSD11B1 P28845 1/20 0.46
NPC1 O15118 3/20 0.45
RARA P10276 1/20 0.44
MTOR P42345 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
STAT3 P40763 1/20 0.43

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
SCHEMBL16769385 0.92 MAPT (0.58) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL10763579 0.87 ALDH1A1 (0.59) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11016694 0.87 RAB9A (0.58) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL25985856 0.87 RAB9A (0.44) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11018932 0.85 ALDH1A1 (0.61) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11016594 0.85 ALDH1A1 (0.61) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11014658 0.85 RAB9A (0.57) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11016974 0.85 ALDH1A1 (0.61) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11018925 0.85 RAB9A (0.57) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL11017647 0.85 ALDH1A1 (0.61) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377474-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-08-16 EP disclosed
US-11072635-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2021-07-27 US disclosed
US-20200239519-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2020-07-30 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-20200239519-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC RAB9A 2372/4885SMN1; SMN2 1689/4885MAPT 4006/4885
US-11072635-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC RAB9A 2372/4885SMN1; SMN2 1689/4885MAPT 4006/4885

“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.