SCHEMBL946948

SCHEMBL946948

Cc1cc(C)nc(-n2nc(C)cc2C)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.75
ALOX15 P16050 7/20 0.70
TP53 P04637 1/20 0.60
LMNA P02545 5/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 1/20 0.58
KMT2A Q03164 1/20 0.58
CYP2C19 P33261 1/20 0.58
POLB P06746 3/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KCNN2 Q9H2S1 1/20 0.55
KCNN3 Q9UGI6 1/20 0.55
MAPT P10636 2/20 0.54
USP2 O75604 1/20 0.54
PTPN7 P35236 1/20 0.54
CREBBP Q92793 1/20 0.54

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
Hydrochloric Acid SCHEMBL946927 0.98 HTT (0.72) HTTALOX15TP53LMNAALDH1A1
SCHEMBL4138642 0.91 HTT (0.68) HTTALOX15TP53LMNAALDH1A1
SCHEMBL11186961 0.88 HTT (0.66) HTTALOX15TP53LMNAALDH1A1
SCHEMBL4207277 0.88 SMN1; SMN2 (0.66) HTTALOX15TP53LMNAALDH1A1
SCHEMBL30421872 0.86 HTT (0.64) HTTALOX15TP53LMNAALDH1A1
SCHEMBL5698625 0.86 HTT (0.64) HTTALOX15TP53LMNAALDH1A1
SCHEMBL11174391 0.86 HTT (1.00) HTTALOX15TP53LMNAALDH1A1
SCHEMBL12918505 0.83 LMNA (0.64) HTTALOX15TP53LMNAALDH1A1
SCHEMBL5501899 0.83 ALOX15 (1.00) HTTALOX15TP53LMNAALDH1A1
SCHEMBL948912 0.83 HTT (0.59) HTTALOX15TP53LMNAALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240293300-A1 SKIN PENETRATION COSMETIC MATERIAL, AND SKIN PENETRATION COSMETIC MATERIAL PRODUCTION METHOD SHISEIDO COMPANY, LTD. (JP) 2024-09-05 US disclosed
JP-2024092959-A COSMETIC 株式会社 資生堂 2024-07-08 JP disclosed
WO-2024142899-A1 COSMETIC 株式会社 資生堂 2024-07-04 WO disclosed
WO-2024142837-A1 COSMETIC 株式会社 資生堂 2024-07-04 WO disclosed
CN-118252771-A Cosmetic material 株式会社资生堂 2024-06-28 CN disclosed
WO-2024135395-A1 COSMETIC PREPARATION 株式会社 資生堂 2024-06-27 WO disclosed
CN-117545457-A Cosmetic for skin penetration 株式会社资生堂 2024-02-09 CN disclosed
CN-117545456-A Cosmetic for skin permeation and method for producing cosmetic for skin permeation 株式会社资生堂 2024-02-09 CN disclosed
WO-2023002873-A1 SKIN PENETRATION COSMETIC MATERIAL, AND SKIN PENETRATION COSMETIC MATERIAL PRODUCTION METHOD 株式会社資生堂 2023-01-26 WO disclosed
WO-2023002872-A1 COSMETIC FOR SKIN PERMEATION 株式会社資生堂 2023-01-26 WO disclosed
US-20130045173-A1 Method For Inhibiting Melanin Production And Whitening Skin With Pyrimidlypyrazole Compounds Or Pharmaceutically Acceptable Salts Thereof SHISEDIO COMPANY LTD. (JP) 2013-02-21 US disclosed
US-8324234-B2 Method for inhibiting melanin production and whitening skin with pyrimidylpyrazole compounds or pharmaceutically acceptable salts thereof SHISEIDO COMPANY LTD. (JP) 2012-12-04 US disclosed
US-8324234-B2 Method for inhibiting melanin production and whitening skin with pyrimidylpyrazole compounds or pharmaceutically acceptable salts thereof SHISEIDO COMPANY LTD. (JP) 2012-12-04 US disclosed
US-8324234-B2 Method for inhibiting melanin production and whitening skin with pyrimidylpyrazole compounds or pharmaceutically acceptable salts thereof SHISEIDO COMPANY LTD. (JP) 2012-12-04 US disclosed
US-20120283441-A1 Method For Producing Pyrimidinylpyrazole Compounds SHISEIDO COMPANY, LTD. (JP) 2012-11-08 US disclosed
US-20120283441-A1 Method For Producing Pyrimidinylpyrazole Compounds SHISEIDO COMPANY, LTD. (JP) 2012-11-08 US disclosed
US-20110003838-A1 Whitening Agent And Skin External Preparation SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
US-20110003838-A1 Whitening Agent And Skin External Preparation SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
US-20110003838-A1 Whitening Agent And Skin External Preparation SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2250999-A1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN Shiseido Company, Ltd. (JP) 2010-11-17 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 (4 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-20110003838-A1 Whitening Agent And Skin External Preparation TYR, MC1R, MCHR1 HTT 1999/4885ALOX15 124/4885TP53 4325/4885
US-20120283441-A1 Method For Producing Pyrimidinylpyrazole Compounds DCK, IFNG, QDPR HTT 2431/4885ALOX15 4708/4885TP53 3535/4885
US-20240293300-A1 SKIN PENETRATION COSMETIC MATERIAL, AND SKIN PENETRATION COSMETIC MATERIAL PRODUCTION METHOD CUTA, SLC6A12, DSG1 HTT 3707/4885ALOX15 3356/4885TP53 1716/4885
US-20130045173-A1 Method For Inhibiting Melanin Production And Whitening Skin With Pyrimidlypyrazole Compounds Or Pharmaceutically Acceptable Salts Thereof TYR, MC1R, TH HTT 1999/4885ALOX15 238/4885TP53 4706/4885

“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.