SCHEMBL548158

SCHEMBL548158

N#CCc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
DAO P14920 1/20 0.38
TSPO P30536 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
MAOB P27338 1/20 0.36
MPO P05164 1/20 0.36
SLC6A4 P31645 1/20 0.36
RIPK1 Q13546 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL29700948 1.00 IDO1 (0.48) IDO1AGXTKDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL17204528 0.98 IDO1 (0.50) IDO1AGXTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL29618975 0.83 PSEN1 (0.40) IDO1AGXTALDH1A1FFAR1FFAR4
SCHEMBL1020440 0.83 PSEN1 (0.40) IDO1AGXTALDH1A1FFAR1FFAR4
SCHEMBL3076688 0.81 CA3 (0.46) IDO1AGXTMPOSLC6A4MAPT
SCHEMBL6140760 0.80 IDO1 (0.50) IDO1AGXTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL24136215 0.79 FFAR1 (0.45) FFAR1FFAR4TSPODRD3HTR2A
SCHEMBL444029 0.79 CYP2A6 (0.49) IDO1ALDH1A1FFAR1FFAR4TSPO
SCHEMBL2286658 0.79 P2RX7 (0.38) IDO1AGXTKDM4EALDH1A1HTR2A
SCHEMBL4714190 0.79 ADRA2B (0.44) IDO1AGXTKDM4EALDH1A1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107394267-B Electrolyte and lithium ion battery 湛江市金灿灿科技有限公司 2021-06-25 CN claimed
CN-107394267-A Electrolyte and lithium ion battery 湛江市金灿灿科技有限公司 2017-11-24 CN claimed
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 US claimed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US claimed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 US claimed
US-20250163039-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2025-05-22 US disclosed
EP-4452964-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2024-10-30 EP disclosed
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 US disclosed
CN-118339153-A Heteroaromatic compounds for the treatment of cancer 勃林格殷格翰国际有限公司 2024-07-12 CN disclosed
CN-117800874-A Flexible crystal material of dibenzoacrylonitrile, preparation method and application thereof 吉林大学 2024-04-02 CN disclosed
US-20240004296-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2024-01-04 US disclosed
CN-117186011-A APOBEC3G compound and application thereof in preparing antiviral drugs 浙江师范大学 2023-12-08 CN disclosed
US-5136080-A Intermediates for glutamate inhibitors BURROUGHS WELLCOME CO. (US) 1992-08-04 US disclosed
WO-1991016894-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1991-11-14 WO disclosed
EP-0372934-A2 Pharmacologically active CNS compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP disclosed
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 US disclosed
US-4504595-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-03-12 US disclosed
US-4438042-A FROM AMIDES, FLUORINATE SILCEOUS CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-20 US disclosed
US-4436669-A CYANATION, DECARBONYLATION, ACID CATALYSTS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-03-13 US disclosed
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 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 (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-20250163039-A1 HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER NRAS, KRAS, RB1 IDO1 3669/4885AGXT 3079/4885KDM4E 2708/4885
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA IDO1 787/4885AGXT 1966/4885KDM4E 2668/4885

“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.