SCHEMBL22645461

SCHEMBL22645461

O=C(/C=C/c1ccccc1)N/C(=C\c1ccccc1)C(=O)Nc1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.70
RAB9A P51151 7/20 0.70
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ALDH1A1 P00352 7/20 0.63
NPSR1 Q6W5P4 1/20 0.63
MAPT P10636 3/20 0.57
MAPK1 P28482 1/20 0.57
PKM P14618 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 1/20 0.52
KDM4E B2RXH2 3/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NAMPT P43490 2/20 0.49
HDAC4 P56524 1/20 0.49
MEF2D Q14814 1/20 0.49
EGFR P00533 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
SCHEMBL21593633 0.83 RAB9A (1.00) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL16180694 0.83 RAB9A (1.00) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL24166643 0.80 RAB9A (0.55) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL22645362 0.79 ALDH1A1 (0.74) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL22662529 0.78 HDAC3 (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL22645323 0.78 HDAC3 (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL22645325 0.78 HDAC3 (0.53) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL22692996 0.75 MAPT (0.62) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL22645465 0.74 HDAC3 (0.59) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL22645466 0.74 HDAC3 (0.59) NPC1RAB9AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312694-B2 Method for making propenamide compound KING ABDULAZIZ UNIVERSITY (SA) 2022-04-26 US disclosed
US-11312694-B2 Method for making propenamide compound KING ABDULAZIZ UNIVERSITY (SA) 2022-04-26 US disclosed
US-20220033368-A1 METHOD FOR MAKING PROPENAMIDE COMPOUND KING ABDULAZIZ UNIVERSITY (SA) 2022-02-03 US disclosed
US-20220033368-A1 METHOD FOR MAKING PROPENAMIDE COMPOUND KING ABDULAZIZ UNIVERSITY (SA) 2022-02-03 US disclosed
US-20220009896-A1 METHOD OF TREATING COLORECTAL CANCER KING ABDULAZIZ UNIVERSITY (SA) 2022-01-13 US disclosed
US-20220009896-A1 METHOD OF TREATING COLORECTAL CANCER KING ABDULAZIZ UNIVERSITY (SA) 2022-01-13 US disclosed
US-11214556-B1 Method of treating colorectal cancer KING ABDULAZIZ UNIVERSITY (SA) 2022-01-04 US disclosed
US-11155528-B2 Bis-propenamide compounds and methods of treating cancer KING ABDULAZIZ UNIVERSITY (SA) 2021-10-26 US disclosed
US-11155528-B2 Bis-propenamide compounds and methods of treating cancer KING ABDULAZIZ UNIVERSITY (SA) 2021-10-26 US disclosed
US-20210122721-A1 BIS-PROPENAMIDE COMPOUNDS AND METHODS OF TREATING CANCER KING ABDULAZIZ UNIVERSITY (SA) 2021-04-29 US disclosed
US-20210122721-A1 BIS-PROPENAMIDE COMPOUNDS AND METHODS OF TREATING CANCER KING ABDULAZIZ UNIVERSITY (SA) 2021-04-29 US disclosed
US-10836736-B1 Pharmaceutical composition with cytotoxic activity on colorectal cancer cells KING ABDULAZIZ UNIVERSITY (SA) 2020-11-17 US disclosed
US-10836736-B1 Pharmaceutical composition with cytotoxic activity on colorectal cancer cells KING ABDULAZIZ UNIVERSITY (SA) 2020-11-17 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 (7 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-10836736-B1 Pharmaceutical composition with cytotoxic activity on colorectal cancer cells APC, DCK, ABCB1 NPC1 335/4885RAB9A 2381/4885MEN1 2456/4885
US-20210122721-A1 BIS-PROPENAMIDE COMPOUNDS AND METHODS OF TREATING CANCER APC, CCNE1, CCNI NPC1 1145/4885RAB9A 1319/4885MEN1 468/4885
US-20220009896-A1 METHOD OF TREATING COLORECTAL CANCER APC, SLC10A2, FOLR1 NPC1 343/4885RAB9A 2623/4885MEN1 1111/4885
US-11312694-B2 Method for making propenamide compound APC, CYP2C19, PKD1 NPC1 1133/4885RAB9A 1488/4885MEN1 321/4885
US-20220033368-A1 METHOD FOR MAKING PROPENAMIDE COMPOUND APC, CYP2C19, PKD1 NPC1 1133/4885RAB9A 1488/4885MEN1 321/4885
US-11155528-B2 Bis-propenamide compounds and methods of treating cancer APC, CCNE1, CCNI NPC1 1145/4885RAB9A 1319/4885MEN1 468/4885
US-11214556-B1 Method of treating colorectal cancer APC, SLC10A2, FOLR1 NPC1 343/4885RAB9A 2623/4885MEN1 1111/4885

“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.