SCHEMBL4909246

SCHEMBL4909246

O=C(NOCc1ccccc1)c1nccc2ncn(Cc3ccc(F)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.41
IDO1 P14902 1/20 0.41
CNR2 P34972 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MMP13 P45452 4/20 0.39
HSD17B13 Q7Z5P4 1/20 0.39

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
SCHEMBL5832076 0.84 MMP13 (0.45) EGLN1RAB9AIDO1HDAC3HDAC4
SCHEMBL4903920 0.80 HSP90AA1 (0.47) MMP13HSD17B13LMNA
SCHEMBL1684115 0.77 MMP13 (0.47) RAB9ANPC1IDO1HDAC1HDAC8
SCHEMBL1684151 0.76 MMP13 (0.36) EGLN1RAB9AIDO1HDAC3HDAC4
SCHEMBL4909240 0.69 TP53 (0.50) HPGDSMN1; SMN2
SCHEMBL27783338 0.69 RAB9A (0.78) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL4904745 0.66 EGLN1 (0.53) EGLN1ALDH1A1MMP13LMNA
SCHEMBL1715324 0.65 PDPK1 (0.55) RAB9ANPC1ALDH1A1LMNA
SCHEMBL2945252 0.65 MMP13 (0.44) IDO1HDAC1HDAC6ALDH1A1MMP13
SCHEMBL2951388 0.65 MMP13 (0.48) RAB9AIDO1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 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 (1 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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB EGLN1 311/4885RAB9A 4373/4885NPC1 1245/4885

“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.