SCHEMBL493877

SCHEMBL493877

O=C(/C=C/c1ccccc1)Nc1cnc2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.60
RAB9A P51151 7/20 0.59
NPC1 O15118 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
ALDH1A1 P00352 1/20 0.59
STAT1 P42224 1/20 0.59
RHOA P61586 1/20 0.58
KDM4E B2RXH2 2/20 0.57
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
FSCN1 Q16658 1/20 0.54
MMP1 P03956 3/20 0.54
MMP2 P08253 3/20 0.54
MMP9 P14780 3/20 0.54
EGFR P00533 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL493878 1.00 DEGS1 (0.60) DEGS1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL27605647 0.81 DEGS1 (0.58) DEGS1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL31489320 0.79 KDM4E (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1RHOA
SCHEMBL13134249 0.79 KDM4E (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1RHOA
SCHEMBL16101601 0.78 KDR (0.60) DEGS1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13991500 0.78 KDR (0.60) DEGS1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL27960240 0.77 RHOA (0.79) RAB9ANPC1RHOAHDAC3HDAC4
SCHEMBL16102104 0.76 SMN1; SMN2 (0.53) DEGS1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL20284449 0.75 DEGS1 (1.00) DEGS1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL29186499 0.75 KDM4E (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106051-B2 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI SHIONOGI & CO., LTD. (JP) 2012-01-31 US disclosed
US-8106051-B2 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI SHIONOGI & CO., LTD. (JP) 2012-01-31 US disclosed
US-8106051-B2 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI SHIONOGI & CO., LTD. (JP) 2012-01-31 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
US-20040235888-A1 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2004-11-25 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-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI APOL1, PON1, APOB DEGS1 998/4885RAB9A 4068/4885NPC1 226/4885
US-20040235888-A1 Utilities of amide compounds APOB, NR1H2, APOL1 DEGS1 620/4885RAB9A 4044/4885NPC1 144/4885

“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.