SCHEMBL6418366

SCHEMBL6418366

O=C(O)C(O)=CC(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SNCA P37840 1/20 0.45
MGLL Q99685 1/20 0.44
REN P00797 1/20 0.44
PTPN1 P18031 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6418362 1.00 LMNA (0.50) LMNATDP1ALDH1A1NPSR1MEN1
SCHEMBL6418523 0.90 CA12 (0.49) LMNATDP1MEN1KMT2AMAPT
SCHEMBL6418517 0.90 CA12 (0.49) LMNATDP1MEN1KMT2AMAPT
SCHEMBL6412481 0.84 NPC1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2MGLL
SCHEMBL6412477 0.84 NPC1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2MGLL
SCHEMBL6419743 0.84 ALDH1A1 (0.44) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6412983 0.84 TDP1 (0.42) TDP1ALDH1A1SMN1; SMN2SNCA
SCHEMBL6419748 0.84 ALDH1A1 (0.44) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6412980 0.84 TDP1 (0.42) TDP1ALDH1A1SMN1; SMN2SNCA
SCHEMBL6872168 0.83 NPC1 (0.40) LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 LMNA 1674/4885TDP1 1762/4885ALDH1A1 1020/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 LMNA 2376/4885TDP1 863/4885ALDH1A1 239/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 LMNA 2376/4885TDP1 863/4885ALDH1A1 239/4885

“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.