SCHEMBL19397284

SCHEMBL19397284

CC(C)(C)c1cccc(-n2cnnn2)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.71
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
TP53 P04637 1/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 3/20 0.47
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL28188988 0.83 NOTUM (1.00) NOTUMNPC1RAB9ATP53LMNA
SCHEMBL21152328 0.82 NOTUM (0.72) NOTUMTP53LMNASMN1; SMN2KMT2A
SCHEMBL2054614 0.79 NOTUM (0.58) NOTUMNPC1RAB9ALMNAALDH1A1
SCHEMBL4203264 0.78 NOTUM (0.55) NOTUMNPC1RAB9ATP53LMNA
SCHEMBL917714 0.77 NOTUM (0.67) NOTUMTP53LMNASMN1; SMN2KMT2A
SCHEMBL19397285 0.77 NOTUM (0.47) NOTUMNPC1RAB9ATP53LMNA
SCHEMBL21849237 0.75 OPRD1 (0.44) NOTUMNPC1RAB9APKM
SCHEMBL4202843 0.75 TP53 (0.61) NOTUMNPC1RAB9ATP53SMN1; SMN2
SCHEMBL4581917 0.74 NOTUM (0.60) NOTUMTP53LMNASMN1; SMN2KMT2A
SCHEMBL21150838 0.74 NOTUM (0.63) NOTUMTP53LMNASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-30 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2017-09-28 US disclosed
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2017-09-28 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 (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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP NOTUM 824/4885NPC1 826/4885RAB9A 994/4885
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 NOTUM 4287/4885NPC1 421/4885RAB9A 1637/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP NOTUM 824/4885NPC1 826/4885RAB9A 994/4885
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER CD274, PDCD1, PDCD1LG2 NOTUM 4218/4885NPC1 2117/4885RAB9A 1337/4885

“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.