SCHEMBL16198322

SCHEMBL16198322

NCCSc1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
AR P10275 4/20 0.50
RAB9A P51151 4/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 1/20 0.47
PRKAG1 P54619 2/20 0.47
PRKAA2 P54646 2/20 0.47
PRKAB1 Q9Y478 2/20 0.47
EPHX2 P34913 1/20 0.46
NPC1 O15118 3/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL6757965 0.92 RAB9A (0.45) BCHEARRAB9AHSD17B10SMN1; SMN2
SCHEMBL11020969 0.84 RAB9A (0.50) BCHEARRAB9AHSD17B10SMN1; SMN2
SCHEMBL9729552 0.83 CYP1A2 (0.58) ARRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL9744385 0.82 AR (0.52) BCHEARRAB9AHSD17B10SMN1; SMN2
SCHEMBL10852555 0.80 RAB9A (0.47) BCHEARRAB9AHSD17B10SMN1; SMN2
SCHEMBL6757973 0.80 HSD17B10 (0.56) ARRAB9AHSD17B10SMN1; SMN2HPGD
SCHEMBL16198047 0.80 HSD17B10 (0.53) RAB9AHSD17B10SMN1; SMN2HPGDPRKAG1
SCHEMBL12195234 0.80 POLB (0.49) BCHEARRAB9AHSD17B10SMN1; SMN2
SCHEMBL15693633 0.79 RAB9A (0.68) ARRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL6261730 0.78 HPGD (0.51) ARRAB9AHSD17B10SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643933-B2 Compounds useful as antibiotic tolerance inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2017-05-09 US disclosed
US-9643933-B2 Compounds useful as antibiotic tolerance inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2017-05-09 US disclosed
US-9643933-B2 Compounds useful as antibiotic tolerance inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2017-05-09 US disclosed
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 US disclosed
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 US disclosed
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 US disclosed
WO-2014176258-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2014-10-30 WO disclosed
WO-2014176258-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2014-10-30 WO 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-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS CFTR, SLC11A2, MRPS18A BCHE 3842/4885AR 4518/4885RAB9A 713/4885

“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.