SCHEMBL20150183

SCHEMBL20150183

CSc1cc(C2CCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
KMT2A Q03164 1/20 0.37
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIA4 P48058 1/20 0.33
HCAR3 P49019 1/20 0.33

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
SCHEMBL20150176 0.94 MAPT (0.37) MAPTALDH1A1RAB9AMEN1NPY1R
SCHEMBL1970805 0.76 ATM (0.53) MAPTALDH1A1RAB9AMEN1NPY1R
SCHEMBL29653738 0.76 ATM (0.53) MAPTALDH1A1RAB9AMEN1NPY1R
SCHEMBL20150186 0.73 TSHR (0.64) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL13735249 0.73 TDP1 (0.53) MAPTALDH1A1RAB9AMEN1NPY1R
SCHEMBL10252368 0.73 ALDH1A1 (0.51) MAPTALDH1A1RAB9AMEN1NPY1R
SCHEMBL9913544 0.73 MAPT (0.53) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL9513694 0.73 VCAM1 (0.51) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL20073632 0.72 BACE1 (0.38) RAB9AMEN1KMT2A
SCHEMBL16958735 0.72 MAPT (0.50) MAPTALDH1A1RAB9AMEN1KMT2A

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
EP-3848370-A2 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2021-07-14 EP disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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 (2 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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885ALDH1A1 4827/4885RAB9A 3462/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885ALDH1A1 4827/4885RAB9A 3462/4885

“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.