SCHEMBL1770692

SCHEMBL1770692

CCCN(c1ccccc1C)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.43
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TP53 P04637 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH3A1 P30838 1/20 0.35
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CRHR2 Q13324 1/20 0.34
TLR9 Q9NR96 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
HCAR3 P49019 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8812805 0.83 HSD17B10 (0.43) HSD17B10ALDH1A1TDP1CYP3A4LMNA
SCHEMBL2522993 0.83 HTR1A (0.40) ESR1TP53HCAR3
SCHEMBL4379984 0.81 HSD17B10 (0.38) ESR1HSD17B10ALDH1A1TP53TDP1
SCHEMBL5880844 0.79 ALDH1A1 (0.46) ESR1ALDH1A1TP53LMNATSHR
SCHEMBL8811691 0.76 TSHR (0.47) HSD17B10ALDH1A1TDP1CYP3A4TSHR
SCHEMBL8372332 0.75 HSD17B10 (0.48) HSD17B10ALDH1A1TDP1CYP3A4LMNA
SCHEMBL3205470 0.73 HSD17B10 (0.47) HSD17B10ALDH1A1TDP1CYP3A4LMNA
SCHEMBL516401 0.72 CRHR1 (0.44) ESR1ALDH1A1TP53CYP3A4LMNA
SCHEMBL5421931 0.71 TP53 (0.45) ESR1ALDH1A1TP53CYP3A4LMNA
Lithium Ion SCHEMBL19732781 0.71 CRHR1 (0.43) ESR1ALDH1A1TP53CYP3A4LMNA

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
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2011-05-12 US disclosed
US-7696246-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-04-13 US disclosed
US-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-03-18 US disclosed
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin LIGAND PHARMACEUTICALS, INC. 2005-12-29 US disclosed
US-6964973-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-11-15 US disclosed
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2003-07-10 US disclosed
US-6566372-B1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer LIGAND PHARMACEUTICALS INCORPORATED 2003-05-20 US disclosed
EP-1212303-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 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 (4 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-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR ESR1 39/4885HSD17B10 232/4885ALDH1A1 2131/4885
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR ESR1 39/4885HSD17B10 232/4885ALDH1A1 2131/4885
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin FSHR, CYP19A1, ESR2 ESR1 18/4885HSD17B10 504/4885ALDH1A1 2798/4885
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR ESR1 39/4885HSD17B10 232/4885ALDH1A1 2131/4885

“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.