SCHEMBL2257835

SCHEMBL2257835

COc1ccc(-c2ccccc2NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ F10 P00742 9/20 0.45
▸ F2 P00734 4/20 0.45
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TGFBR1 P36897 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ P2RY1 P47900 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
SCHEMBL14176945 0.91 ALDH1A1 (0.42) KMT2AALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL2263610 0.89 POLB (0.50) KMT2AALDH1A1KDM4ENPSR1POLB
SCHEMBL14177233 0.87 KMT2A (0.47) KMT2AALDH1A1L3MBTL1POLBF10
SCHEMBL2255376 0.87 KMT2A (0.47) KMT2AALDH1A1POLBTP53RAB9A
SCHEMBL2260447 0.87 RAB9A (0.54) KMT2AALDH1A1POLBTP53RAB9A
SCHEMBL2257528 0.87 POLB (0.46) KMT2AALDH1A1POLBF10F2
SCHEMBL2255882 0.87 ALDH1A1 (0.53) KMT2AALDH1A1KDM4ENPSR1L3MBTL1
SCHEMBL15706879 0.86 RAB9A (0.49) KMT2AALDH1A1L3MBTL1POLBRAB9A
SCHEMBL2256462 0.85 TGFBR1 (0.47) KMT2AALDH1A1L3MBTL1POLBF10
SCHEMBL2259720 0.84 TGFBR1 (0.45) ALDH1A1L3MBTL1POLBSMN1; SMN2MAPT

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
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 — — EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 KMT2A 3296/4885ALDH1A1 3692/4885KDM4E 2153/4885

“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.

Send feedback