SCHEMBL6289865

SCHEMBL6289865

COc1cc([N+](=O)[O-])ccc1NCC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
PKM P14618 2/20 0.57
ALDH1A1 P00352 7/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 6/20 0.52
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
GLA P06280 1/20 0.50
EPHX1 P07099 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL21280225 0.82 HTT (0.62) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL111537 0.79 TSHR (0.73) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL29390085 0.79 TSHR (0.73) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL6574005 0.79 HTT (0.58) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL56823 0.79 HTT (0.58) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL9681150 0.79 LMNA (0.60) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL5115093 0.78 ALDH1A1 (0.49) HTTALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL27510433 0.78 HTT (0.57) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL9509694 0.77 HTT (0.68) HTTPKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL7081487 0.77 PKM (0.71) HTTPKMALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR HTT 4549/4885PKM 1194/4885ALDH1A1 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.