SCHEMBL19970042

SCHEMBL19970042

NSC(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.53
TDO2 P48775 3/20 0.53
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
CHRNA7 P36544 1/20 0.46
TSHR P16473 3/20 0.42
SCN4A P35499 2/20 0.42
ADRB2 P07550 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
BCL2 P10415 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41

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
SCHEMBL4976471 0.86 TSHR (0.50) SLC6A4SLC6A3TSHRCYP1A2CYP2D6
SCHEMBL588409 0.75 IDO1 (0.59) IDO1TDO2SLC6A4SLC6A3CHRNA7
SCHEMBL588076 0.75 IDO1 (0.59) IDO1TDO2SLC6A4SLC6A3CHRNA7
SCHEMBL587761 0.75 IDO1 (0.59) IDO1TDO2SLC6A4SLC6A3CHRNA7
SCHEMBL673181 0.74 CYP19A1 (0.59) IDO1TDO2SLC6A4SLC6A3TSHR
SCHEMBL3695767 0.74 CYP19A1 (0.59) IDO1TDO2SLC6A4SLC6A3TSHR
Hydrochloric Acid SCHEMBL1143208 0.73 IDO1 (0.61) IDO1TDO2SLC6A4SLC6A3CHRNA7
SCHEMBL2124049 0.72 IDO1 (0.56) IDO1TDO2SLC6A4SLC6A3CHRNA7
SCHEMBL1573848 0.72 IDO1 (0.56) IDO1TDO2SLC6A4SLC6A3CHRNA7
SCHEMBL11572011 0.72 SLC6A4 (0.48) IDO1TDO2SLC6A4SLC6A3TSHR

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-10322122-B2 Methods and compositions for treating degenerative and ischemic disorders THE GENERAL HOSPITAL CORPORATION (US) 2019-06-18 US disclosed
US-20180071279-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS THE GENERAL HOSPITAL CORPORATION 2018-03-15 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-20180071279-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS PINK1, PC, PCK2 IDO1 1083/4885TDO2 2057/4885SLC6A4 2776/4885
US-10322122-B2 Methods and compositions for treating degenerative and ischemic disorders PINK1, PC, PCK2 IDO1 1083/4885TDO2 2057/4885SLC6A4 2776/4885

“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.