SCHEMBL15077972

SCHEMBL15077972

O=C1CC(c2ccccc2I)c2cc(Br)c3ccccc3c2N1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
IDO1 P14902 9/20 0.41
HSD17B10 Q99714 1/20 0.39
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL15359680 0.79 HSD17B10 (0.62) IDO1HSD17B10LMNASMN1; SMN2MAPT
SCHEMBL880238 0.77 ALDH1A1 (0.51) IDO1HSD17B10LMNASMN1; SMN2MAPT
SCHEMBL6855803 0.74 LMNA (0.54) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL30325218 0.73 IDO1 (0.61) IDO1LMNA
SCHEMBL880290 0.71 HSD17B10 (0.62) NPC1IDO1HSD17B10LMNASMN1; SMN2
SCHEMBL880307 0.67 IDO1 (0.70) IDO1HSD17B10LMNASMN1; SMN2MAPT
SCHEMBL880476 0.65 LMNA (0.52) IDO1HSD17B10LMNASMN1; SMN2MAPT
SCHEMBL880274 0.65 HSD17B10 (0.56) IDO1HSD17B10LMNASMN1; SMN2MAPT
SCHEMBL10280721 0.63 LMNA (0.54) IDO1HSD17B10LMNASMN1; SMN2MAPT
SCHEMBL13522397 0.63 MAPT (0.68) NPC1IDO1HSD17B10LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200270263-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-08-27 US disclosed
US-10689392-B2 Anti-cancer compounds targeting ral GTPases and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-06-23 US disclosed
US-20160280715-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-09-29 US disclosed
US-20160280715-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2016-09-29 US disclosed
US-9353121-B2 Anti-cancer compounds targeting Ral GTPases and methods of using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-05-31 US disclosed
US-9353121-B2 Anti-cancer compounds targeting Ral GTPases and methods of using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-05-31 US disclosed
US-20140315894-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-10-23 US disclosed
US-20140315894-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-10-23 US disclosed
WO-2013096820-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2013-06-27 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 (4 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-20140315894-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 NPC1 1809/4885IDO1 4493/4885HSD17B10 4015/4885
US-20160280715-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 NPC1 1809/4885IDO1 4493/4885HSD17B10 4015/4885
US-10689392-B2 Anti-cancer compounds targeting ral GTPases and methods of using the same ARFGAP1, ARHGDIB, IQGAP1 NPC1 1809/4885IDO1 4493/4885HSD17B10 4015/4885
US-20200270263-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 NPC1 1809/4885IDO1 4493/4885HSD17B10 4015/4885

“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.