SCHEMBL21979493

SCHEMBL21979493

COc1cnc2c(c1)c(C(=O)O)c(Cl)n2C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.42
▸ DHODH Q02127 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 7/20 0.36
▸ GAA P10253 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ MITF O75030 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PAX8 Q06710 1/20 0.33

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
SCHEMBL30486887 0.83 MTNR1A (0.38) MTNR1AKDM4ESMN1; SMN2MAPTHPGD
SCHEMBL21979507 0.83 MTNR1A (0.38) MTNR1AKDM4ESMN1; SMN2MAPTHPGD
SCHEMBL1149967 0.81 KDM4E (0.50) DHODHKDM4EGAASMN1; SMN2MAPT
SCHEMBL11559734 0.74 KDM4E (0.56) KDM4EGAAHSD17B10SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL11563282 0.73 KDM4E (0.54) KDM4EGAAHSD17B10SMN1; SMN2MAPT
SCHEMBL25942293 0.73 MTNR1A (0.43) MTNR1AKDM4ESMN1; SMN2HPGDMTNR1B
SCHEMBL25940696 0.72 SMN1; SMN2 (0.53) KDM4EGAAHSD17B10SMN1; SMN2MAPT
SCHEMBL21979491 0.71 MTNR1A (0.55) MTNR1ALMNAKDM4EGAAHSD17B10
SCHEMBL21979475 0.71 EGFR (0.50) DHODHLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL25948787 0.70 MTNR1A (0.43) MTNR1AKDM4ESMN1; SMN2HPGDMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4233834-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS NFlection Therapeutics, Inc. (US) 2023-08-30 — — EP disclosed
EP-4233865-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS NFlection Therapeutics, Inc. (US) 2023-08-30 — — EP disclosed
US-20230013227-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS NFLECTION THERAPEUTICS, INC. 2023-01-19 — — US disclosed
US-20220033399-A1 PYRROLOPYRIDINE-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS, INC. 2022-02-03 — — US disclosed
US-11161845-B2 Pyrrolopyridine-aniline compounds for treatment of dermal disorders NFLECTION THERAPEUTICS, INC. (US) 2021-11-02 — — US disclosed
US-20200165243-A1 PYRROLOPYRIDINE-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS, INC. 2020-05-28 — — 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-20230013227-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS HTR3C, NDUFA13, NDUFAF3 MTNR1A 116/4885DHODH 3633/4885LMNA 496/4885
US-20200165243-A1 PYRROLOPYRIDINE-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS POLR1C, TYR, PAH MTNR1A 1666/4885DHODH 966/4885LMNA 554/4885
US-11161845-B2 Pyrrolopyridine-aniline compounds for treatment of dermal disorders POLR1C, TYR, PAH MTNR1A 1623/4885DHODH 973/4885LMNA 564/4885
US-20220033399-A1 PYRROLOPYRIDINE-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS POLR1C, TYR, PAH MTNR1A 1585/4885DHODH 985/4885LMNA 557/4885

“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.

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