SCHEMBL21836233

SCHEMBL21836233

CC(NC(c1ccccc1)c1ccccc1)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A9 P48067 1/20 0.42
CTSA P10619 4/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR3C1 P04150 1/20 0.39
NAMPT P43490 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL21836232 1.00 MAPKAPK2 (0.44) MAPKAPK2LMNATSHRSLC6A9CTSA
SCHEMBL11172666 0.78 KMT2A (0.47) LMNATSHRCTSARAB9ATNF
SCHEMBL12258863 0.77 MAPKAPK2 (0.48) MAPKAPK2LMNATSHRRAB9ANPC1
SCHEMBL2593428 0.74 CTSA (0.46) LMNATSHRSLC6A9CTSARAB9A
SCHEMBL7901954 0.73 CTSA (0.48) LMNATSHRCTSACYP2C9CYP2C19
SCHEMBL18884438 0.73
SCHEMBL21836226 0.72 SIGMAR1 (0.55) LMNATSHRRAB9APOLBGAA
SCHEMBL21836227 0.72 SIGMAR1 (0.55) LMNATSHRRAB9APOLBGAA
SCHEMBL21836246 0.71 SLC6A2 (0.53) TSHRPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL21836248 0.71 SLC6A2 (0.53) TSHRPOLBCYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129249-B2 Method for producing optically active compound DAY ONE BIOPHARMACEUTICALS, INC. (US) 2024-10-29 US disclosed
EP-4406609-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Day One Biopharmaceuticals, Inc. (US) 2024-07-31 EP disclosed
CN-117447464-A Method for producing optically active compound 首日生物制药公司 2024-01-26 CN disclosed
CN-111032047-B Method for producing optically active compound 多特疗法-1公司 2023-10-27 CN disclosed
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2021-11-11 US disclosed
US-10988469-B2 Method for producing optically active compound DOT THERAPEUTICS-1, INC. (US) 2021-04-27 US disclosed
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2020-10-08 US disclosed
CN-111032047-A Process for producing optically active compound 千年制药公司 2020-04-17 CN disclosed
EP-3632441-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Millennium Pharmaceuticals, Inc. (US) 2020-04-08 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-10988469-B2 Method for producing optically active compound DHPS, QDPR, SPR MAPKAPK2 1189/4885LMNA 3508/4885TSHR 3464/4885
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR MAPKAPK2 1189/4885LMNA 3508/4885TSHR 3464/4885
US-12129249-B2 Method for producing optically active compound DHPS, QDPR, SPR MAPKAPK2 1189/4885LMNA 3508/4885TSHR 3464/4885
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR MAPKAPK2 1189/4885LMNA 3508/4885TSHR 3464/4885

“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.