SCHEMBL6294040

SCHEMBL6294040

CC(C)[CH]c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
CYP11B2 P19099 3/20 0.54
CYP11B1 P15538 1/20 0.54
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALOX5 P09917 2/20 0.50
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP19A1 P11511 2/20 0.47
KDM4E B2RXH2 1/20 0.47
JUN P05412 1/20 0.47
NFKB1 P19838 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL9341849 0.82 CHRNB2 (0.47) ALDH1A1CYP11B2CYP11B1MAPTKMT2A
SCHEMBL9967696 0.81 CYP11B1 (0.59) ALDH1A1CYP11B2CYP11B1MAPTKMT2A
SCHEMBL6450487 0.81 CYP11B1 (0.59) ALDH1A1CYP11B2CYP11B1MAPTKMT2A
SCHEMBL27746559 0.81 CYP11B2 (0.53) ALDH1A1CYP11B2CYP11B1KMT2AMEN1
SCHEMBL27888079 0.77 CYP11B2 (0.48) ALDH1A1CYP11B2CYP11B1MAPTKMT2A
SCHEMBL213871 0.76
SCHEMBL14198047 0.76 MAPT (0.58) ALDH1A1CYP11B2CYP11B1MAPTKMT2A
SCHEMBL29691639 0.75 CYP11B1 (0.86) ALDH1A1CYP11B2CYP11B1MAPTKMT2A
SCHEMBL29691623 0.75 CYP11B1 (0.86) ALDH1A1CYP11B2CYP11B1MAPTKMT2A
SCHEMBL8911420 0.75 ALDH1A1 (0.62) ALDH1A1CYP11B2CYP11B1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906069-B1 Diagnosis indicator; anticholesterol agents; antilipemic agents; antidiabtic agents AMGEN INC. (US) 2005-06-14 US claimed
US-6906069-B1 Diagnosis indicator; anticholesterol agents; antilipemic agents; antidiabtic agents AMGEN INC. (US) 2005-06-14 US disclosed
US-20040152132-A1 Solid phase synthesis of LXR ligands TULARIK INC. 2004-08-05 US disclosed
US-6673543-B2 JOINING LIVER RECEPTORS TO SOLID SUPPORT; GENERATE SOLID SUPPORT, JOIN ANILINE DERIVATIVE TO SUPPORT, INCUBATE WITH ALDEHYE, KETONE, INCUBATE ANILINE DERIVATIVE WITH ACYLATING AGENT, RECOVER SUPPORT TULARIK, INC. 2004-01-06 US disclosed
US-20020072073-A1 Solid phase synthesis of LXR ligands AMGEN INC. 2002-06-13 US disclosed
WO-2001077067-A2 SOLID PHASE SYNTHESIS OF LXR LIGANDS TULARIK INC. (US) 2001-10-18 WO disclosed
WO-2001060818-A1 LXR MODULATORS TULARIK INC. (US) 2001-08-23 WO disclosed
US-5935954-A TREATING THE PATIENT SUFFERING FROM PARKINSON'S DISEASE, ALZHIMER'S DISEASE, STROKE AND ISCHEMIA ASSOCIATED WITH STROKE, NEURAL PAROPATHY, SCIATIC CRUSH, SPINAL CORD INJURY OR FACIAL NERVE CRASH VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-08-10 US disclosed
US-5922725-A Benzimidazole compounds and their use as modulators of the GABAA receptor complex NEUROSEARCH A/S (DK) 1999-07-13 US disclosed
US-5717092-A Compounds with improved multi-drug resistance activity VERTEX PHARMACEUTICALS INC. (US) 1998-02-10 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 (2 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-20040152132-A1 Solid phase synthesis of LXR ligands NR1H2, NR1H3, NR1H4 ALDH1A1 4003/4885CYP11B2 90/4885CYP11B1 65/4885
US-20020072073-A1 Solid phase synthesis of LXR ligands NR1H2, NR1H3, NR1H4 ALDH1A1 4003/4885CYP11B2 90/4885CYP11B1 65/4885

“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.