SCHEMBL3935759

SCHEMBL3935759

CC1(C)CC([N+](=O)[O-])C(C)(C)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
HTR2C P28335 1/20 0.31
KCNA4 P22459 1/20 0.31
KCNA1 Q09470 1/20 0.31
KCNAB1 Q14722 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOTUM Q6P988 1/20 0.30
KDM1A O60341 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL15416101 0.74 NPSR1 (0.41) NPSR1MAPTMEN1KMT2AGAA
SCHEMBL9716878 0.70 HTR2C (0.36) HTR2CNOTUMKDM1ACNR2
SCHEMBL28259691 0.69 HTR2C (0.33) HTR2CKDM1A
SCHEMBL9501829 0.68 MAOB (0.40) HTR2CKDM1A
SCHEMBL10363387 0.68 HTR2C (0.35) HTR2CNOTUMKDM1ACNR2
SCHEMBL19019983 0.67 HTR2C (0.34) HTR2CNOTUMKDM1A
Benzene SCHEMBL5499312 0.67 MAOB (0.41) HTR2CKDM1A
SCHEMBL2343756 0.64 HTR2C (0.36) HTR2C
SCHEMBL7876469 0.64 HTR2C (0.33) HTR2C
SCHEMBL4615201 0.64 LMNA (0.39) MEN1KMT2ACYP2C19LMNA

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
EP-1430023-B1 SUBSTITUIED UREA RETINOID AGONISTS II HOFFMANN LA ROCHE (CH) 2009-04-08 EP disclosed
US-6844466-B2 Alkyl urea retinoid agonists SYNTEX (U.S.A.) LLC (US) 2005-01-18 US disclosed
US-6838472-B2 For treating or preventing emphysema, cancer and dermatological disorders SYNTEX (U.S.A.) LLC (US) 2005-01-04 US disclosed
EP-1430023-A1 SUBSTITUIED UREA RETINOID AGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-06-23 EP disclosed
EP-1430024-A1 ALKYL UREA RETINOID AGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-06-23 EP disclosed
US-20030158226-A1 Alkyl urea retinoid agonists ROCHE BIOSCIENCE, A DIVISION OF SYNTEX (U.S.A.) LLC 2003-08-21 US disclosed
US-20030125383-A1 Substituted urea retinoid agonists ROCHE BIOSCIENCE, A DIVISION OF SYNTEX (U.S.A.) LLC 2003-07-03 US disclosed
WO-2003024920-A1 SUBSTITUTED UREA RETINOID AGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2003-03-27 WO disclosed
WO-2003024921-A1 ALKYL UREA RETINOID AGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2003-03-27 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 (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-20030125383-A1 Substituted urea retinoid agonists RXRA, RXRG, RARG NPSR1 3182/4885MAPT 1872/4885MEN1 3809/4885
US-20030158226-A1 Alkyl urea retinoid agonists RXRG, RXRA, RXRB NPSR1 3721/4885MAPT 2736/4885MEN1 4100/4885

“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.