SCHEMBL7123510

SCHEMBL7123510

Cc1ccccc1N(C)I

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
TSHR P16473 1/20 0.45
SIGMAR1 Q99720 1/20 0.41
CYP3A4 P08684 3/20 0.39
LMNA P02545 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ALDH1A1 P00352 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CYP1A2 P05177 2/20 0.33
C5AR1 P21730 1/20 0.33
CYP2A6 P11509 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
SCHEMBL20650360 0.81 TSHR (0.47) ACHETSHRSIGMAR1CYP3A4LMNA
SCHEMBL29435133 0.78 TSHR (0.50) ACHETSHRSIGMAR1CYP3A4LMNA
SCHEMBL29239 0.78 TSHR (0.50) ACHETSHRSIGMAR1CYP3A4LMNA
SCHEMBL2620728 0.78 ACHE (0.50) ACHETSHRSIGMAR1CYP3A4LMNA
Hydrochloric Acid SCHEMBL6421167 0.76 TSHR (0.47) ACHETSHRSIGMAR1CYP3A4LMNA
SCHEMBL21065735 0.76 TSHR (0.47) ACHETSHRSIGMAR1CYP3A4LMNA
Lithium Ion SCHEMBL19732623 0.76 TSHR (0.47) ACHETSHRSIGMAR1CYP3A4LMNA
Hydrochloric Acid SCHEMBL2869837 0.76 TSHR (0.47) ACHETSHRSIGMAR1CYP3A4LMNA
Bromide SCHEMBL11815049 0.76 TSHR (0.47) ACHETSHRSIGMAR1CYP3A4LMNA
Bromide SCHEMBL27593416 0.76 TSHR (0.47) ACHETSHRSIGMAR1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8208482-A None JP disclosed
US-20230363255-A1 CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-09 US disclosed
US-20230159570-A1 LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 US disclosed
CN-115806568-A Method for constructing heteroatom substituted xanthene derivative through palladium-catalyzed cross coupling and application 华东师范大学 2023-03-17 CN disclosed
US-6664408-B2 Contacting a polyoxometalate and an amine in the presence of a diimide THE CURATORS OF THE UNIVERSITY OF MISSOURI 2003-12-16 US disclosed
US-20020165405-A1 Process for preparing organically-substituted polyoxometalates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2002-11-07 US disclosed
JP-H08208482-A VIRUS PROTEASE INHIBITOR OTSUKA PHARMACEUT CO LTD 1996-08-13 JP 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-20020165405-A1 Process for preparing organically-substituted polyoxometalates TET2, ALKBH3, FTO ACHE 611/4885TSHR 4832/4885SIGMAR1 754/4885
US-20230159570-A1 LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND CRY1, CYP1A1, NQO1 ACHE 579/4885TSHR 3335/4885SIGMAR1 2862/4885
US-20230363255-A1 CONDENSED CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, ORC3 ACHE 2216/4885TSHR 4531/4885SIGMAR1 2509/4885

“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.