SCHEMBL6356384

SCHEMBL6356384

CCc1c(N)ccc(C)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.42
NOS2 P35228 2/20 0.42
POLB P06746 2/20 0.41
CD44 P16070 1/20 0.41
KDM4E B2RXH2 2/20 0.40
S100B P04271 1/20 0.36
ESR1 P03372 2/20 0.36
AR P10275 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 2/20 0.36
CASP1 P29466 1/20 0.36
SKP2 Q13309 1/20 0.35
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL109396 0.83 NOS2 (0.48) NOS3NOS2POLBCD44KDM4E
SCHEMBL7060663 0.82 NOS3 (0.37) NOS3NOS2POLBCD44KDM4E
SCHEMBL982159 0.81 NOS2 (0.47) NOS3NOS2POLBCD44KDM4E
SCHEMBL2954428 0.81 NOS2 (0.42) NOS3NOS2POLBCD44KDM4E
SCHEMBL9819071 0.80 SKP2 (0.53) NOS2POLBCD44KDM4ES100B
SCHEMBL5697401 0.79 NOS3 (0.41) NOS3NOS2POLBCD44KDM4E
Hydrochloric Acid SCHEMBL7256311 0.79 NOS2 (0.45) NOS3NOS2POLBCD44KDM4E
SCHEMBL215981 0.79 NOS3 (0.41) NOS3NOS2POLBKDM4ES100B
SCHEMBL27819320 0.79 SKP2 (0.47) NOS2POLBCD44KDM4EESR1
SCHEMBL23372155 0.77 NOS3 (0.39) NOS3NOS2POLBKDM4ES100B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113201804-B Fiber and preparation method thereof 上海邃铸科技有限公司 2023-05-09 CN disclosed
CN-113201804-A Fiber and preparation method thereof 上海邃铸科技有限公司 2021-08-03 CN disclosed
CN-110476243-A The manufacturing method of electronic circuit protection materials, electronic circuit protection materials sealing material, encapsulating method and semiconductor device HITACHI CHEMICAL CO LTD 2019-11-19 CN disclosed
US-6936607-B2 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety H. LUNOBECK A/S (DK) 2005-08-30 US disclosed
US-20040082587-A1 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety H. LUNDBECK A/S (DK) 2004-04-29 US disclosed
EP-0421393-A2 Resin, compositions, shaped articles, and methods for manufacture Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP 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-20040082587-A1 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety GALR3, GALR2, GALR1 NOS3 3321/4885NOS2 4235/4885POLB 2882/4885

“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.