Sugi Predict

Sugi Predict / Compounds / SCHEMBL444271

SCHEMBL444271

SCHEMBL444271

Clc1ccc(-c2nc[nH]n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPA1 P27694 1/20 0.48
▸ NOTUM Q6P988 2/20 0.44
▸ METAP2 P50579 1/20 0.44
▸ ADORA3 P0DMS8 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NR1H2 P55055 2/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ RET P07949 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ HAO1 Q9UJM8 1/20 0.37

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
SCHEMBL12127495 0.91 LTA4H (0.47) RPA1NPC1RAB9AMEN1KMT2A
Phosphoric Acid SCHEMBL16618460 0.79 NOTUM (0.33) RPA1NOTUMMETAP2ADORA3RAB9A
SCHEMBL9392903 0.78 TSHR (0.35) —
SCHEMBL2968301 0.78 ATM (0.48) METAP2NPC1RAB9ANR1H2NR1H3
SCHEMBL1825663 0.78 NPC1 (0.48) METAP2NPC1RAB9AMEN1KMT2A
SCHEMBL1230218 0.78 METAP2 (0.44) NOTUMMETAP2ADORA3NPC1RAB9A
SCHEMBL1653225 0.78 SMN1; SMN2 (0.39) NOTUMNPC1RAB9AMEN1KMT2A
SCHEMBL1395370 0.78 MEN1 (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL12127297 0.78 AHR (0.48) NOTUMNPC1RAB9AADORA2AADORA1
SCHEMBL9844271 0.78 TP53 (0.53) NOTUMNPC1RAB9AMAPTSMN1; SMN2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082365-B 1,2, 4-Triazolo [3,4-b ] -1,3, 4-thiadiazole myricetin compound and preparation method thereof 贵州大学 2024-11-05 — — CN disclosed
CN-116082365-A 1,2, 4-triazolo [3,4-b ] -1,3, 4-thiadiazole myricetin compound and preparation method thereof 贵州大学 2023-05-09 — — CN disclosed
WO-2018048969-A1 MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-03-15 — — WO disclosed
US-9550757-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-01-24 — — US disclosed
US-9550757-B2 Nuclear transport modulators and uses thereof Karyopharm Therapeutics Inc. (US) 2017-01-24 — — US disclosed
EP-2542089-B1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2017-01-18 — — EP disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 — — US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 — — US disclosed
CN-105399731-A Pharmaceutical Compounds BIAL PORTELA & CA SA 2016-03-16 — — CN disclosed
CN-102333568-B Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-01-20 — — CN disclosed
US-20120094830-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS BAYER CROPSCIENCE AG (DE) 2012-04-19 — — US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 — — US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 — — US disclosed
CN-102333568-A Pharmaceutical compounds BIAL PORTELA & CA SA 2012-01-25 — — CN disclosed
US-8101550-B2 Anthranilic acid diamide derivative with hetero-aromatic and hetero-cyclic substituents BAYER CROPSCIENCE AG (DE) 2012-01-24 — — US disclosed
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-11-10 — — US disclosed
US-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-11-10 — — US disclosed
WO-2011109799-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-09-09 — — WO disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 — — WO disclosed
US-20100029478-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-02-04 — — 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-20110275607-A1 NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, NXF1, XPOT RPA1 1240/4885NOTUM 4789/4885METAP2 3866/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 RPA1 4710/4885NOTUM 99/4885METAP2 522/4885
US-20100029478-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS DDT, ANTXR2, QDPR RPA1 3333/4885NOTUM 2929/4885METAP2 3491/4885
US-20120094830-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS DDT, ANTXR2, QDPR RPA1 3333/4885NOTUM 2929/4885METAP2 3491/4885

“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.