SCHEMBL1503166

SCHEMBL1503166

COCc1c(C(=O)NCCc2ccc(F)cc2)cnc(C(=O)OC)c1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
AKR1C3 P42330 1/20 0.43
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL1503168 0.82 KMT2A (0.49) MAPTLMNAALDH1A1HPGD
SCHEMBL2187912 0.80 MAPT (0.58) RAB9AMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL83038 0.80 LMNA (0.58) RAB9AMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL7163275 0.75 POLB (0.56) POLBNPC1RAB9AMAPTLMNA
SCHEMBL2147308 0.74 CCNB2 (0.47) RAB9AMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL2187010 0.73 LMNA (0.59) RAB9AMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL18532060 0.72 KCNA5 (0.51) MAPTLMNAL3MBTL1ALDH1A1HPGD
SCHEMBL12516705 0.72 LMNA (0.55) NPC1RAB9AMAPTLMNAL3MBTL1
SCHEMBL12444485 0.71 MAPT (0.43) MAPTLMNAL3MBTL1ALDH1A1GLA
SCHEMBL1503139 0.71 LMNA (0.60) RAB9AMAPTLMNAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US claimed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP disclosed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 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 (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-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB POLB 199/4885NPC1 3046/4885RAB9A 3692/4885

“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.