SCHEMBL6474703

SCHEMBL6474703

C=C1N(C)c2ccc(OC(F)(F)F)cc2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPA9 P38646 4/20 0.42
NT5E P21589 2/20 0.39
MPI P34949 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A4 P31645 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CHRM5 P08912 5/20 0.35
GPR3 P46089 1/20 0.35
BACE1 P56817 2/20 0.34
CTSD P07339 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
CCR6 P51684 2/20 0.34
KIF11 P52732 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL28250850 0.82 NT5E (0.47) HSPA9NT5ECHRM5BACE1CTSD
SCHEMBL3819871 0.81 MAPT (0.43) MPITDP1
SCHEMBL9750166 0.77 MPI (0.40) HSPA9MPITDP1SLC6A4TMEM97
SCHEMBL9750257 0.77 GRIA2 (0.42) MPITDP1
SCHEMBL9750440 0.77 GRIA2 (0.42) MPITDP1
SCHEMBL9734981 0.75 PDK2 (0.39) MPITDP1SIGMAR1KCNH2
SCHEMBL4602881 0.74 MPI (0.43) NT5EMPITDP1
SCHEMBL3819527 0.74 NQO2 (0.40) MPITDP1
SCHEMBL10881205 0.74 PDK2 (0.39) MPITDP1
SCHEMBL9750113 0.73 GRIA2 (0.45) MPITDP1BACE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6891038-B2 Photochromic spiro(indoline)naphthoxazines YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-05-10 US disclosed
US-20030114669-A1 Photochromic spiro(indoline)naphthoxazines YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2003-06-19 US disclosed
EP-1272494-A2 PHOTOCHROMIC SPIRO(INDOLINE)NAPHTHOXAZINES Yeda Research and Development Co. Ltd. (IL) 2003-01-08 EP disclosed
WO-2001077112-A2 PHOTOCHROMIC SPIRO(INDOLINE)NAPHTHOXAZINES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2001-10-18 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-20030114669-A1 Photochromic spiro(indoline)naphthoxazines NPM1, CRY2, INMT HSPA9 4795/4885NT5E 3056/4885MPI 3002/4885

“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.