SCHEMBL30005142

SCHEMBL30005142

CC1(C)OB(c2ccc3[nH]ncc3c2Cl)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.39
IDO1 P14902 1/20 0.37
ROCK1 Q13464 4/20 0.36
AXL P30530 2/20 0.33
ESR1 P03372 4/20 0.32
ESR2 Q92731 4/20 0.32
ROCK2 O75116 1/20 0.31
TRPA1 O75762 1/20 0.31
UCHL1 P09936 1/20 0.31
BRAF P15056 1/20 0.31
METAP2 P50579 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
SCHEMBL21653719 1.00 NOS1 (0.39) NOS1IDO1ROCK1AXLESR1
SCHEMBL25230509 0.82 TRPA1 (0.42) NOS1IDO1ROCK1AXLESR1
SCHEMBL27188140 0.80 BRD4 (0.39) NOS1IDO1ROCK1AXLESR1
SCHEMBL29712207 0.80 BRD4 (0.39) NOS1IDO1ROCK1AXLESR1
SCHEMBL29376674 0.79 IDO1 (0.50) NOS1IDO1AXLBRAFMETAP2
SCHEMBL189955 0.79 IDO1 (0.50) NOS1IDO1AXLBRAFMETAP2
SCHEMBL19785593 0.77 NOS1 (0.39) NOS1UCHL1
SCHEMBL3496375 0.77 NOS1 (0.36) NOS1UCHL1BRAF
SCHEMBL16971684 0.77 METAP2 (0.42) NOS1IDO1BRAFMETAP2
SCHEMBL26920428 0.76 P2RX7 (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-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20220363693-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-11-17 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-20220363693-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN9, PTPN7 NOS1 4203/4885IDO1 2920/4885ROCK1 279/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 NOS1 3876/4885IDO1 2302/4885ROCK1 199/4885

“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.