SCHEMBL7987880

SCHEMBL7987880

O=C(NCc1ccccn1)c1sc2ccccc2c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
MAPT P10636 5/20 0.61
HPGD P15428 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 3/20 0.61
TP53 P04637 1/20 0.61
OGG1 O15527 1/20 0.60
KMT2A Q03164 3/20 0.59
POLB P06746 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 1/20 0.59
AGTR1 P30556 1/20 0.59
OPRK1 P41145 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HDAC1 Q13547 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
GAA P10253 1/20 0.57
NPC1 O15118 7/20 0.57

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
SCHEMBL7984436 0.80 GAA (0.85) RAB9AMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL31683829 0.79 F10 (0.72) RAB9AMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL23327873 0.79 F10 (0.72) RAB9AMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL11888641 0.79 NPC1 (0.69) RAB9AMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL6477287 0.76 OGG1 (1.00) RAB9AMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL25774012 0.76 OGG1 (0.67) RAB9AMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL10148327 0.76 OGG1 (0.71) RAB9AMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL13494078 0.76 GAA (0.59) RAB9AMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL12195611 0.75 HPGD (0.64) RAB9AMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL1886020 0.74 HDAC1 (1.00) RAB9AMAPTHPGDSMN1; SMN2ALDH1A1

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
US-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 US disclosed
US-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 US disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 US disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 US disclosed
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 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-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto MMP8, SLC11A2, NFKBIA RAB9A 1273/4885MAPT 4581/4885HPGD 561/4885

“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.