SCHEMBL23258136

SCHEMBL23258136

CC(C)(C)c1ccc(-c2cccnn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
TRPV1 Q8NER1 3/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
HDAC4 P56524 1/20 0.40
DHODH Q02127 1/20 0.40
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
HTR1D P28221 1/20 0.40
ADRA1A P35348 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
XDH P47989 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL29262131 0.83 KIF11 (0.41) KIF11KDM4EALDH1A1KMT2AHDAC4
SCHEMBL28209158 0.81 KIF11 (0.50) KIF11TRPV1HDAC4DHODHNPC1
SCHEMBL6534046 0.78 KIF11 (0.42) KIF11KDM4EALDH1A1KMT2ATRPV1
SCHEMBL30661704 0.78 SLC6A2 (0.49) KDM4EALDH1A1KMT2AHDAC4DHODH
SCHEMBL6850684 0.78 SLC6A2 (0.49) KDM4EALDH1A1KMT2AHDAC4DHODH
SCHEMBL13458062 0.75 GABRA1 (0.52) KDM4EALDH1A1KMT2AHDAC4DHODH
SCHEMBL3625369 0.75 RAB9A (0.52) KIF11KDM4EALDH1A1KMT2ATRPV1
SCHEMBL121970 0.74 RAB9A (0.50) KMT2AHDAC4DHODHRAB9ANPC1
SCHEMBL29959678 0.74 RAB9A (0.50) KMT2AHDAC4DHODHRAB9ANPC1
SCHEMBL38654 0.74 TRPV1 (0.66) KIF11KDM4EALDH1A1KMT2ATRPV1

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-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC (US) 2023-08-10 US disclosed
US-11578059-B2 KDM1A inhibitors for the treatment of disease Imago Biosciences. Inc. (US) 2023-02-14 US disclosed
US-20210115023-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. 2021-04-22 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-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1B, KDM1A, KDM2A KIF11 3370/4885KDM4E 18/4885ALDH1A1 839/4885
US-20210115023-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1A, KDM1B, KDM2A KIF11 3246/4885KDM4E 18/4885ALDH1A1 599/4885
US-11578059-B2 KDM1A inhibitors for the treatment of disease KDM1B, KDM1A, KDM2A KIF11 3370/4885KDM4E 18/4885ALDH1A1 839/4885

“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.