SCHEMBL1024015

SCHEMBL1024015

Nc1cccc(SCCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
PDE7A Q13946 2/20 0.50
TSHR P16473 2/20 0.49
HSP90AA1 P07900 1/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MCL1 Q07820 1/20 0.41
BCL2A1 Q16548 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL1025482 0.87 ALDH1A1 (0.58) ALDH1A1PDE7ATSHRHSP90AA1MAPT
SCHEMBL1027622 0.81 ALDH1A1 (0.57) ALDH1A1TSHRMAPTPOLBLMNA
SCHEMBL1026524 0.80 CHRNB2 (0.53) ALDH1A1PDE7AHSP90AA1MAPTLMNA
SCHEMBL1075394 0.77 ALDH1A1 (0.55) ALDH1A1MAPTPOLBRAB9AHTT
SCHEMBL1075396 0.77 ALDH1A1 (0.55) ALDH1A1MAPTPOLBRAB9AHTT
3-Nitroaniline SCHEMBL1487 0.75 ALDH1A1 (1.00) ALDH1A1PDE7ATSHRHSP90AA1LMNA
3-Nitroaniline SCHEMBL29364768 0.75 ALDH1A1 (1.00) ALDH1A1PDE7ATSHRHSP90AA1LMNA
SCHEMBL7297275 0.74 HSP90AA1 (0.62) ALDH1A1TSHRHSP90AA1MAPTLMNA
SCHEMBL1818371 0.74 TSHR (0.59) ALDH1A1TSHRHSP90AA1MAPTPOLB
SCHEMBL6545015 0.74 TSHR (0.62) ALDH1A1TSHRLMNASIGMAR1CYP1A2

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALDH1A1 2511/4885PDE7A 3008/4885TSHR 1918/4885

“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.