SCHEMBL15077997

SCHEMBL15077997

CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 5/20 0.65
GAA P10253 3/20 0.65
MAPT P10636 4/20 0.63
RAB9A P51151 1/20 0.57
TSHR P16473 1/20 0.56
USP2 O75604 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 2/20 0.49
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
FFAR3 O14843 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL15078012 1.00 ALDH1A1 (0.65) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL30144977 1.00 ALDH1A1 (0.65) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL13704129 0.69 KDM4E (0.51) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL14583303 0.67 KDM4E (0.54) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL13704088 0.66 KDM4E (0.53) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL13704089 0.65 KDM4E (0.51) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL13704084 0.65 KDM4E (0.51) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL13333342 0.65 ALDH1A1 (0.71) ALDH1A1KDM4EGAATSHRHSD17B10
SCHEMBL14583075 0.64 MEN1 (0.53) ALDH1A1KDM4EMAPTTSHRUSP2
SCHEMBL4287642 0.64 MEN1 (0.63) ALDH1A1KDM4EMAPTUSP2HSD17B10

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 ALDH1A1 3045/4885KDM4E 1255/4885GAA 1980/4885
US-20160280715-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 ALDH1A1 3045/4885KDM4E 1255/4885GAA 1980/4885
US-10689392-B2 Anti-cancer compounds targeting ral GTPases and methods of using the same ARFGAP1, ARHGDIB, IQGAP1 ALDH1A1 3045/4885KDM4E 1255/4885GAA 1980/4885
US-20200270263-A1 ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME ARFGAP1, ARHGDIB, IQGAP1 ALDH1A1 3045/4885KDM4E 1255/4885GAA 1980/4885

“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.