SCHEMBL16919783

SCHEMBL16919783

O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 1.00
▸ NPC1 O15118 9/20 1.00
▸ MAPT P10636 8/20 1.00
▸ KMT2A Q03164 5/20 1.00
▸ HTT P42858 4/20 1.00
▸ OPRK1 P41145 4/20 1.00
▸ LMNA P02545 4/20 1.00
▸ MEN1 O00255 4/20 1.00
▸ ALDH1A1 P00352 3/20 1.00
▸ AGTR1 P30556 2/20 1.00
▸ SMN1; SMN2 Q16637 2/20 1.00
▸ TDP1 Q9NUW8 3/20 0.69
▸ PKM P14618 3/20 0.69
▸ POLB P06746 2/20 0.69
▸ GAA P10253 2/20 0.59
▸ TP53 P04637 2/20 0.55
▸ TNF P01375 1/20 0.54
▸ CRHBP P24387 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ NOD2 Q9HC29 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
SCHEMBL3049281 0.84 LMNA (0.77) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL3792415 0.77 RAB9A (0.70) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL14808362 0.77 RAB9A (0.65) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL3044982 0.76 RAB9A (0.68) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL31504583 0.76 RAB9A (0.64) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL21589413 0.76 NPC1 (0.65) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL27004512 0.76 RAB9A (0.64) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL19612102 0.75 RAB9A (0.60) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL26884128 0.75 KMT2A (0.65) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL6229312 0.75 NPC1 (0.76) RAB9ANPC1MAPTKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787439-B2 Compounds and methods for activating the apoptotic arm of the unfolded protein response UNIVERSITY OF KANSAS (US) 2020-09-29 — — US disclosed
US-20170334889-A1 COMPOUNDS AND METHODS FOR ACTIVATING THE APOPTOTIC ARM OF THE UNFOLDED PROTEIN RESPONSE UNIVERSITY OF KANSAS 2017-11-23 — — US disclosed
US-20170334889-A1 COMPOUNDS AND METHODS FOR ACTIVATING THE APOPTOTIC ARM OF THE UNFOLDED PROTEIN RESPONSE UNIVERSITY OF KANSAS 2017-11-23 — — US disclosed
US-9732067-B2 Compounds and methods for activating the apoptotic arm of the unfolded protein response UNIVERSITY OF KANSAS (US) 2017-08-15 — — US disclosed
US-9732067-B2 Compounds and methods for activating the apoptotic arm of the unfolded protein response UNIVERSITY OF KANSAS (US) 2017-08-15 — — US disclosed
US-20150203477-A1 COMPOUNDS AND METHODS FOR ACTIVATING THE APOPTOTIC ARM OF THE UNFOLDED PROTEIN RESPONSE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-23 — — US disclosed
US-20150203477-A1 COMPOUNDS AND METHODS FOR ACTIVATING THE APOPTOTIC ARM OF THE UNFOLDED PROTEIN RESPONSE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-23 — — 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-20150203477-A1 COMPOUNDS AND METHODS FOR ACTIVATING THE APOPTOTIC ARM OF THE UNFOLDED PROTEIN RESPONSE IAPP, TFEB, GBA1 RAB9A 1553/4885NPC1 895/4885MAPT 417/4885
US-10787439-B2 Compounds and methods for activating the apoptotic arm of the unfolded protein response IAPP, TFEB, GBA1 RAB9A 1553/4885NPC1 895/4885MAPT 417/4885
US-20170334889-A1 COMPOUNDS AND METHODS FOR ACTIVATING THE APOPTOTIC ARM OF THE UNFOLDED PROTEIN RESPONSE IAPP, TFEB, GBA1 RAB9A 1553/4885NPC1 895/4885MAPT 417/4885

“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.

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