SCHEMBL446619

SCHEMBL446619

c1ccc(-c2ccc3[nH]ccc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 1.00
GLO1 Q04760 1/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA12 O43570 1/20 0.59
CA9 Q16790 1/20 0.59
PTGS2 P35354 1/20 0.57
MAP3K11 Q16584 1/20 0.56
CYP17A1 P05093 1/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
ENPP2 Q13822 1/20 0.55
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
HCRTR1 O43613 1/20 0.53
AHR P35869 4/20 0.52
TRPA1 O75762 1/20 0.52
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52

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
SCHEMBL30587350 1.00 NPC1 (1.00) NPC1GLO1CA1CA2CA12
SCHEMBL28210414 0.98 NPC1 (0.96) NPC1GLO1CA1CA2CA12
SCHEMBL20120884 0.96 NPC1 (0.92) NPC1GLO1CA1CA2CA12
SCHEMBL5850255 0.89 NPC1 (0.79) NPC1CA1CA2CA12CA9
SCHEMBL23095150 0.87 NPC1 (0.75) NPC1GLO1CA1CA2CA12
SCHEMBL22178786 0.86 NPC1 (0.76) NPC1GLO1CA1CA2CA12
SCHEMBL20179811 0.86 NPC1 (0.74) NPC1GLO1CA1CA2CA12
SCHEMBL12069204 0.86 NPC1 (0.74) NPC1GLO1CA1CA2CA12
SCHEMBL16598039 0.84 NPC1 (0.71) NPC1GLO1CA1CA2CA12
SCHEMBL2526465 0.84 NPC1 (0.71) NPC1GLO1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003165-B A kind of synthetic method of 5,11- dihydro -5- Phenylindole simultaneously [3,2-b] carbazole 河南省科学院化学研究所有限公司 2019-09-13 CN claimed
CN-108358830-A A kind of 4,5- benzindoles compound and its application that shines 上海道亦化工科技有限公司 2018-08-03 CN claimed
CN-108003165-A A kind of synthetic method of 5,11- dihydros -5- Phenylindoles simultaneously [3,2-b] carbazole 河南省科学院化学研究所有限公司 2018-05-08 CN claimed
CN-105623648-B One kind is based on the sour cyanines colorimetric probe of the asymmetric side of benzindole and anil, preparation method and application 常州大学 2017-10-20 CN claimed
CN-106631979-A Indocyanine green, and preparation method and application thereof 北京数字精准医疗科技有限公司 2017-05-10 CN claimed
CN-1092765-A New tryptamine analogues and preparation method thereof and purposes SMITHKLINE BEECHAM PLC (GB) 1994-09-28 CN claimed
US-20250263760-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-08-21 US disclosed
US-12319946-B2 Methods for producing modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-06-03 US disclosed
CN-119822910-A Method for catalyzing heterogeneous reduction of nitrogen-containing heterocyclic compound by using magnesium metal 延安大学 2025-04-15 CN disclosed
CN-119409622-A Benzocarbazole derivative and synthetic method and application thereof 南宁师范大学 2025-02-11 CN disclosed
US-20240409535-A1 SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE GENENTECH, INC. (US) 2024-12-12 US disclosed
US-12150447-B2 Plant growth regulator UNIVERSITY OF WASHINGTON (US) 2024-11-26 US disclosed
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
WO-1992004321-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-03-19 WO disclosed
US-4973706-A OXIDATION OF INDOLE WITH HYDROPEROXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-11-27 US disclosed
WO-1990010667-A1 COMPOSITION OF RECYCLED POLYETHYLENE TEREPHTHALATE AND METHOD OF MAKING RIGID FOAMED ARTICLES FROM IT TISSLAN S.A. (CH) 1990-09-20 WO disclosed
CN-1042553-A The preparation method of indigo compound MITSUI TOATSU CHEMICALS (JP) 1990-05-30 CN disclosed
EP-0368508-A2 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-16 EP disclosed
CN-1037527-A The preparation method of indigo compound MITSUI TOATSU CHEMICALS (JP) 1989-11-29 CN disclosed
EP-0339887-A1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-02 EP 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 (2 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-20240409535-A1 SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE TP53, DPYD, FLI1 NPC1 1976/4885GLO1 2505/4885CA1 3447/4885
US-12150447-B2 Plant growth regulator ING2, GHRHR, MYB NPC1 4010/4885GLO1 779/4885CA1 4702/4885

“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.