SCHEMBL12342007

SCHEMBL12342007

Cc1c(N[C@@H](C(=O)NNC(=O)c2cccc(O)c2)[C@@H](C)O)ccc(C#N)c1I

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 2/20 0.34
EGLN2 Q96KS0 1/20 0.34
AKR1C4 P17516 4/20 0.34
AKR1C3 P42330 4/20 0.34
AKR1C2 P52895 4/20 0.34
AKR1C1 Q04828 4/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
LMNA P02545 1/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL12140296 1.00 RAB9A (0.34) RAB9APOLBNPC1KDM4EEGLN2
SCHEMBL12140295 0.91 RAB9A (0.41) RAB9APOLBNPC1KDM4EALDH1A1
SCHEMBL12306872 0.91 RAB9A (0.41) RAB9APOLBNPC1KDM4EALDH1A1
SCHEMBL1364488 0.89 AR (0.41) RAB9APOLBNPC1KDM4EEGLN2
SCHEMBL1362965 0.89 AR (0.41) RAB9APOLBNPC1KDM4EEGLN2
SCHEMBL12140335 0.88 AR (0.32) ALDH1A1GAAMEN1KMT2A
SCHEMBL12342159 0.88 AR (0.32) ALDH1A1GAAMEN1KMT2A
SCHEMBL12140378 0.86 AR (0.32) POLBALDH1A1GAA
SCHEMBL12342020 0.86 S1PR3 (0.34)
SCHEMBL12140267 0.86 S1PR3 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268872-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2012-09-18 US disclosed
US-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-02-18 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-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, IGF1R RAB9A 4356/4885POLB 3486/4885NPC1 3631/4885

“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.