SCHEMBL21810028

SCHEMBL21810028

Cc1cc(NC(=O)c2c(C)cn(CCF)c2C)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ DRD4 P21917 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
SCHEMBL25091647 0.88 NPC1 (0.41) ALDH1A1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL21810315 0.83 ALDH1A1 (0.42) ALDH1A1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL21810119 0.81 ALDH1A1 (0.37) ALDH1A1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL23498802 0.77 MAPT (0.42) ALDH1A1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL23498776 0.77 POLB (0.40) ALDH1A1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL21809610 0.76 ALDH1A1 (0.48) ALDH1A1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL21809932 0.76 TSHR (0.41) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL23499113 0.74 SMN1; SMN2 (0.40) ALDH1A1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL23499073 0.74 SMN1; SMN2 (0.40) ALDH1A1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL21146676 0.73 NPC1 (0.46) ALDH1A1NPC1RAB9AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 — — US disclosed
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 — — US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 — — US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 — — US disclosed
US-20220298110-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2022-09-22 — — US disclosed
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 — — US disclosed
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 — — US disclosed
EP-3807246-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-21 — — EP disclosed
CN-112585118-A Hepatitis b capsid assembly modulators 维纳拓尔斯制药公司 2021-03-30 — — CN disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 — — US disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 — — US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 — — US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 — — 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 (6 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-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885POLB 996/4885CYP1A2 2946/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885POLB 996/4885CYP1A2 2946/4885
US-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885POLB 996/4885CYP1A2 2946/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885POLB 996/4885CYP1A2 2946/4885
US-20220298110-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885POLB 996/4885CYP1A2 2946/4885
US-11014881-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885POLB 996/4885CYP1A2 2946/4885

“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.

Send feedback