SCHEMBL2111940

SCHEMBL2111940

O=C(CSc1ccccc1Cl)Nc1ccccc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
LMNA P02545 3/20 0.68
MEN1 O00255 1/20 0.68
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAPT P10636 2/20 0.58
CTSK P43235 1/20 0.58
KDM4E B2RXH2 1/20 0.53
POLB P06746 2/20 0.53
GAA P10253 2/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
HCAR2 Q8TDS4 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL31236795 0.89 KMT2A (0.59) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL14066070 0.88 KMT2A (0.75) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL4917378 0.88 KMT2A (0.66) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL15694876 0.87 KMT2A (0.61) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL8689526 0.83 KMT2A (0.68) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL8485405 0.81 LMNA (1.00) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL4910018 0.81 KMT2A (0.81) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL22650195 0.80 LMNA (0.63) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL4911962 0.80 KMT2A (0.71) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL1702460 0.76 KMT2A (0.55) KMT2AMEN1SMN1; SMN2MAPTKDM4E

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-8703798-B2 Antifungal and antiparasitic indoloquinoline derivatives FLORIDA A&M UNIVERSITY (US) 2014-04-22 US disclosed
US-8703798-B2 Antifungal and antiparasitic indoloquinoline derivatives FLORIDA A&M UNIVERSITY (US) 2014-04-22 US disclosed
US-20120157493-A1 Antifungal and Antiparasitic Indoloquinoline Derivatives FLORIDA A&M UNIVERSITY (US) 2012-06-21 US disclosed
US-8158646-B2 Antifungal and antiparasitic indoloquinoline derivates FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 2012-04-17 US disclosed
WO-2007123732-A2 ANTIFUNGAL AND ANTIPARASITIC INDOLOQUINOLINE DERIVATIVES FLORIDA A & M UNIVERSITY (US) 2007-11-01 WO disclosed
US-20070232640-A1 Antifungal and antiparasitic indoloquinoline derivates NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-04 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-20120157493-A1 Antifungal and Antiparasitic Indoloquinoline Derivatives IDO1, IDO2, IMMT KMT2A 2010/4885LMNA 1608/4885MEN1 2960/4885
US-20070232640-A1 Antifungal and antiparasitic indoloquinoline derivates ARG1, ARG2, IMMT KMT2A 1997/4885LMNA 2533/4885MEN1 2244/4885

“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.