SCHEMBL20653201

SCHEMBL20653201

CC(S)Oc1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 7/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
TEAD4 Q15561 1/20 0.43
MAPT P10636 5/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAOA P21397 2/20 0.39
APP P05067 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
NR4A1 P22736 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAOB P27338 1/20 0.38
MITF O75030 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL891032 0.87 ALDH1A3 (0.41) ALDH1A1POLBKMT2AGAAPARP10
SCHEMBL2881391 0.80 TDP1 (0.52) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL38655995 0.80 TDP1 (0.52) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL5563 0.80 PARP10 (0.54) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL9096551 0.80 TDP1 (0.50) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL18948912 0.78 TDP1 (0.50) TDP1MAPK1ALDH1A1CYP3A4TSHR
Hydrochloric Acid SCHEMBL4963793 0.78 TDP1 (0.54) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL3821124 0.77 TDP1 (0.44) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL5635955 0.76 TDP1 (0.48) TDP1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL8889526 0.76 TDP1 (0.54) TDP1MAPK1ALDH1A1CYP3A4TSHR

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-11731932-B2 Silicon-containing compositions and their methods of use ADITYA BIRLA CHEMICALS (USA), INC. (US) 2023-08-22 US disclosed
US-20220356145-A1 SILICON-CONTAINING COMPOSITIONS AND THEIR METHODS OF USE ADITYA BIRLA CHEMICALS (USA) LLC 2022-11-10 US disclosed
US-10919839-B2 Silicon-containing compositions and their methods of use ADITYA BIRLA CHEMICALS (USA) LLC (US) 2021-02-16 US disclosed
US-20190016870-A1 SILICON-CONTAINING COMPOSITIONS AND THEIR METHODS OF USE ADITYA BIRLA CHEMICALS (USA), INC. 2019-01-17 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 (3 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-10919839-B2 Silicon-containing compositions and their methods of use SRM, REV1, RER1 TDP1 1831/4885MAPK1 4754/4885ALDH1A1 3388/4885
US-20220356145-A1 SILICON-CONTAINING COMPOSITIONS AND THEIR METHODS OF USE SRM, REV1, RER1 TDP1 1831/4885MAPK1 4754/4885ALDH1A1 3388/4885
US-11731932-B2 Silicon-containing compositions and their methods of use SRM, REV1, RER1 TDP1 1831/4885MAPK1 4754/4885ALDH1A1 3388/4885

“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.