SCHEMBL6417366

SCHEMBL6417366

Fc1ccc(CNCc2ccco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
ATM Q13315 1/20 0.59
HPGD P15428 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 2/20 0.52
CHRM2 P08172 1/20 0.51
POLB P06746 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
KCNH3 Q9ULD8 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL7437493 0.85 KMT2A (0.73) MEN1KMT2AHPGDALDH1A1CHRM2
SCHEMBL11014192 0.83 MEN1 (0.71) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL843371 0.82 CHRM2 (0.69) MEN1KMT2AATMALDH1A1CHRM2
SCHEMBL16523593 0.82 KMT2A (0.70) MEN1KMT2AATMALDH1A1CHRM2
SCHEMBL31547203 0.82 MEN1 (0.70) MEN1KMT2AATMHPGDALDH1A1
SCHEMBL16523598 0.82 KMT2A (0.70) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL12976485 0.82 KMT2A (0.70) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL22305089 0.81 KMT2A (0.68) MEN1KMT2AATMALDH1A1CHRM2
Methane SCHEMBL28948442 0.80 CHRM2 (0.67) MEN1KMT2AATMALDH1A1CHRM2
SCHEMBL10078178 0.78 MEN1 (0.64) MEN1KMT2AATMHPGDALDH1A1

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
CN-1239472-C HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2006-02-01 CN disclosed
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
CN-1441775-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2003-09-10 CN 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 MEN1 4741/4885KMT2A 1208/4885ATM 2848/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MEN1 4837/4885KMT2A 1330/4885ATM 3183/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MEN1 4837/4885KMT2A 1330/4885ATM 3183/4885

“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.