SCHEMBL21114860

SCHEMBL21114860

c1cnc2sc(N3CCOCC3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
AR P10275 5/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 3/20 0.49
PIK3CA P42336 2/20 0.47
TP53 P04637 2/20 0.47
USP2 O75604 2/20 0.47
PKM P14618 1/20 0.47
POLB P06746 1/20 0.46
ALOX15 P16050 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDK1 Q15118 1/20 0.45

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
SCHEMBL30681219 1.00 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AARMAPT
SCHEMBL8123488 0.82 HTR2C (0.47) USP2ALDH1A1HSD17B10PDK1
SCHEMBL809829 0.76 RAB9A (1.00) SMN1; SMN2NPC1RAB9AARMAPT
SCHEMBL21588424 0.76 NPC1 (0.54) SMN1; SMN2NPC1RAB9AARMAPT
SCHEMBL16896509 0.76 HRH3 (0.60) SMN1; SMN2NPC1RAB9AARMAPT
SCHEMBL29505245 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AARMAPT
SCHEMBL16896582 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AARMAPT
SCHEMBL21114754 0.76 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AARMAPT
SCHEMBL29505280 0.76 HRH3 (0.60) SMN1; SMN2NPC1RAB9AARMAPT
Hydrogen Sulfide SCHEMBL11606123 0.75 RAB9A (0.97) SMN1; SMN2NPC1RAB9AARMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3735411-B1 1,3,4,5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER`S DISEASE AC IMMUNE SA (CH) 2024-07-10 EP disclosed
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2023-11-14 US disclosed
US-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates AC IMMUNE SA (CH) 2023-08-17 US disclosed
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates AC IMMUNE SA (CH) 2023-06-27 US disclosed
US-20220127263-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates AC IMMUNE SA (CH) 2022-04-28 US disclosed
EP-3735411-A1 1, 3, 4, 5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER'S DISEASE AC Immune SA (CH) 2020-11-11 EP disclosed
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2020-05-14 US disclosed
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2020-04-28 US disclosed
WO-2019134978-A1 1, 3, 4, 5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER'S DISEASE AC IMMUNE SA (CH) 2019-07-11 WO disclosed
US-20190211012-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2019-07-11 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 (7 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-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates MAPT, MAP1LC3A, MAP1LC3B SMN1; SMN2 445/4885NPC1 290/4885RAB9A 1905/4885
US-20190211012-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, MAP1LC3B SMN1; SMN2 445/4885NPC1 290/4885RAB9A 1905/4885
US-20220127263-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates MAPT, MAP1LC3A, MAP1LC3B SMN1; SMN2 445/4885NPC1 290/4885RAB9A 1905/4885
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates MAPT, PSEN2, PSEN1 SMN1; SMN2 343/4885NPC1 144/4885RAB9A 2191/4885
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 SMN1; SMN2 479/4885NPC1 325/4885RAB9A 2189/4885
US-20200148679-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, MAP1LC3B SMN1; SMN2 445/4885NPC1 290/4885RAB9A 1905/4885
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 SMN1; SMN2 479/4885NPC1 325/4885RAB9A 2189/4885

“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.