SCHEMBL21391368

SCHEMBL21391368

CC(C)C(C)CCCNC(=O)CN

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
OTC P00480 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
TP53 P04637 1/20 0.35
PAOX Q6QHF9 2/20 0.34
RRM1 P23921 1/20 0.34
CASP2 P42575 1/20 0.33
HPGD P15428 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL7947948 0.84 KMT2A (0.41) MEN1KMT2AALDH1A1OTCSMN1; SMN2
SCHEMBL21391388 0.79 MEN1 (0.42) MEN1KMT2AALDH1A1OTCSMN1; SMN2
SCHEMBL7936587 0.78 KMT2A (0.45) MEN1KMT2AALDH1A1SMN1; SMN2DPP7
SCHEMBL16853212 0.76 ALDH1A1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2PAOX
SCHEMBL12660515 0.76 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2PAOX
SCHEMBL7944266 0.75 ANPEP (0.52) ALDH1A1SMN1; SMN2HPGD
SCHEMBL20813199 0.74 HPGD (0.54) ALDH1A1CASP2HPGDTSHR
SCHEMBL24611784 0.74 ALDH1A1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2PAOX
SCHEMBL14198854 0.74 ALDH1A1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2PAOX
SCHEMBL13043221 0.73 OTC (0.65) KMT2AOTCDPP7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078983-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER Cellix Bio Provate Limited (IN) 2021-03-18 US disclosed
US-10858349-B2 Compositions and methods for the treatment of cancer CELLIX BIO PRIVATE LIMITED (IN) 2020-12-08 US disclosed
US-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER CELLIX BIO PRIVATE LIMITED (IN) 2019-09-26 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-20210078983-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER SI, HBG2, HBG1 MEN1 999/4885KMT2A 4424/4885ALDH1A1 2768/4885
US-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER SI, HBG2, HBG1 MEN1 999/4885KMT2A 4424/4885ALDH1A1 2768/4885
US-10858349-B2 Compositions and methods for the treatment of cancer SI, HBG2, HBG1 MEN1 999/4885KMT2A 4424/4885ALDH1A1 2768/4885

“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.