SCHEMBL998922

SCHEMBL998922

Brc1ccc(-c2cncnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2A6 P11509 2/20 0.46
XDH P47989 1/20 0.45
GAA P10253 2/20 0.45
CYP19A1 P11511 2/20 0.40
METAP2 P50579 1/20 0.40
HDAC4 P56524 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ERN1 O75460 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL6682176 0.86 ATM (0.72) ATMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28209270 0.80 ATM (0.46) ATMNPC1NFKB1RAB9ANFKB2
SCHEMBL12302096 0.76 ALDH1A1 (0.73) ATMNPC1NFKB1RAB9ANFKB2
SCHEMBL1673427 0.76 ALDH1A1 (0.73) ATMNPC1NFKB1RAB9ANFKB2
SCHEMBL2814958 0.76 ATM (0.65) ATMALDH1A1CYP2A6XDHCYP11B1
SCHEMBL68094 0.76 ALDH1A1 (0.73) ATMNPC1NFKB1RAB9ANFKB2
SCHEMBL1000061 0.75 CYP2A6 (0.48) ATMNPC1NFKB1RAB9ANFKB2
SCHEMBL5719996 0.75 ERN1 (0.45) ATMSMN1; SMN2ALDH1A1CYP2A6XDH
SCHEMBL4966225 0.74 ALDH1A1 (0.58) ATMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22418964 0.74 ATM (0.44) ATMCYP2A6XDHCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504609-A Alpraxitans an intermediate compound of (C) Alpraxitans and preparation method thereof 成都启晟合研医药科技有限公司 2025-02-25 CN disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
CN-111848514-B Chiral organic luminescent material and application thereof 深圳大学 2022-05-20 CN disclosed
CN-109309166-B Organic electroluminescent device and anthracene compound containing 2,6,9, 10-tetra-substitution 北京鼎材科技有限公司 2022-05-20 CN disclosed
EP-3974426-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research and Technology Corporation (US) 2022-03-30 EP disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
US-10892419-B2 Space-through charge transfer compound, and organic light emitting diode and display device using the same LG DISPLAY CO., LTD. (KR) 2021-01-12 US disclosed
CN-106413402-B Hepatitis b core protein allosteric modulators 美国印第安纳大学研究和技术公司 2020-10-30 CN disclosed
CN-111848514-A Chiral organic luminescent material and application thereof 深圳大学 2020-10-30 CN disclosed
US-20200331906-A1 COMPOUND, METHOD OF SYNTHESIZING COMPOUND WITH PYRIDINE RING AND LIGHT-EMITTING ELEMENT AU OPTRONICS CORPORATION (TW) 2020-10-22 US disclosed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO disclosed
US-5780473-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US disclosed
US-5760038-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-02 US disclosed
WO-1998004260-A1 SUBSTITUTED BIPHENYL SULFONAMIDE ENDOTHELIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 WO disclosed
US-5714496-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHERSCLEROSIS ZENECA LIMITED (GB) 1998-02-03 US disclosed
EP-0656897-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1998-01-07 EP disclosed
EP-0725067-A1 Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-07 EP disclosed
EP-0656897-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-06-14 EP disclosed
WO-1994005660-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-03-17 WO 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-10892419-B2 Space-through charge transfer compound, and organic light emitting diode and display device using the same NLRP1, NLRP3, CYBA ATM 1902/4885NPC1 1662/4885NFKB1 2053/4885
US-20200331906-A1 COMPOUND, METHOD OF SYNTHESIZING COMPOUND WITH PYRIDINE RING AND LIGHT-EMITTING ELEMENT SUN2, NFE2L2, NR2E3 ATM 1629/4885NPC1 1988/4885NFKB1 700/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 ATM 3527/4885NPC1 953/4885NFKB1 1667/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 ATM 3527/4885NPC1 953/4885NFKB1 1667/4885

“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.