SCHEMBL1460112

SCHEMBL1460112

O=C(O)N1CCN(c2cc(-c3ccc4ccccc4n3)no2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 7/20 0.45
ERG P11308 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.40
MGLL Q99685 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
FASN P49327 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
Hydrochloric Acid SCHEMBL1460120 0.79 KDM4E (0.52) SMOTSHRRAB9ANPC1MAPT
SCHEMBL1832319 0.79 SMO (0.69) SMOERG
Trifluoroacetic Acid SCHEMBL1459243 0.78 SMO (0.63) SMOSMN1; SMN2
SCHEMBL1458341 0.75 RAB9A (0.53) TSHRRAB9ANPC1MAPTMAPK1
SCHEMBL29931500 0.74 KDM4E (0.68) TSHRRAB9ANPC1MAPK1LMNA
SCHEMBL5239212 0.74 KDM4E (0.68) TSHRRAB9ANPC1MAPK1LMNA
SCHEMBL1458340 0.71 FAAH (0.51) TSHRRAB9ANPC1
SCHEMBL11394885 0.67 KDM4E (0.46) TSHRLMNAPOLBALDH1A1KDM4E
SCHEMBL1830934 0.66 SMO (0.56) SMOERGNPC1MAPTLMNA
SCHEMBL1458897 0.66 RAB9A (0.45) TSHRRAB9ANPC1MAPTLMNA

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-20130053396-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-02-28 US disclosed
EP-2480543-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto di Ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2012-08-01 EP disclosed
WO-2011036478-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-03-31 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 (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-20130053396-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 SMO 2/4885ERG 1351/4885TSHR 527/4885

“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.